
 1,2,3,4-tetrahydropyrazino[1,2-a]indole

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.0280   -1.1208    0.2648 C   0  0  0  0  0
   -1.5729   -1.5157   -0.0099 C   0  0  0  0  0
   -0.6836   -0.3677    0.0499 N   0  0  0  0  0
   -1.1418    0.9283    0.0485 C   0  0  0  0  0
   -0.0336    1.7501    0.0520 C   0  0  0  0  0
    1.1259    0.9251    0.0361 C   0  0  0  0  0
    2.5091    1.1906    0.0142 C   0  0  0  0  0
    3.4144    0.1240   -0.0129 C   0  0  0  0  0
    2.9592   -1.1918   -0.0151 C   0  0  0  0  0
    1.5913   -1.4808    0.0096 C   0  0  0  0  0
    0.6923   -0.4035    0.0355 C   0  0  0  0  0
   -2.5976    1.2413    0.0630 C   0  0  0  0  0
   -3.3995    0.1169   -0.4316 N   0  0  0  0  0
   -3.6859   -1.9328   -0.0648 H   0  0  0  0  0
   -3.1920   -1.0007    1.3440 H   0  0  0  0  0
   -1.4688   -1.9376   -1.0157 H   0  0  0  0  0
   -1.2332   -2.2484    0.7283 H   0  0  0  0  0
   -0.0505    2.8319    0.0541 H   0  0  0  0  0
    2.8711    2.2142    0.0104 H   0  0  0  0  0
    4.4820    0.3272   -0.0364 H   0  0  0  0  0
    3.6772   -2.0080   -0.0402 H   0  0  0  0  0
    1.2451   -2.5088    0.0028 H   0  0  0  0  0
   -2.9040    1.4988    1.0838 H   0  0  0  0  0
   -2.7942    2.1151   -0.5674 H   0  0  0  0  0
   -4.3830    0.3244   -0.2680 H   0  0  0  0  0
  1 13  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 25  1  0  0  0
M  END

>  <Chemical Name>
1,2,3,4-tetrahydropyrazino[1,2-a]indole

>  <PubChem CID>
14595509

>  <Formula>
C11H12N2

>  <Molecular Weight>
172.231000

>  <IUPAC Name>
1,2,3,4-tetrahydropyrazino[1,2-a]indole

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN2C(=CC3=CC=CC=C32)CN1

>  <Isomeric SMILES>
C1CN2C(=CC3=CC=CC=C32)CN1

>  <InChI Std. ID>
InChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-4,7,12H,5-6,8H2

>  <InChI Key>
AEIDURNZWCNQIM-UHFFFAOYSA-N

