SMILES:n1c2c(n(c1)C/C=C/c1ccccc1)ccc(c2)N	

FORMULA: C16H15N3
MASS: 249.3104
EXACT MASS: 249.1265975
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.4730     0.0000 
   N   3    0.7667     0.7668     0.0000 
   C   4    0.4717     0.7629     0.4718     0.0000 
   C   5    0.7667     0.4750     0.4731     0.7629     0.0000 
   C   6    0.8627     0.4703     1.2109     1.2272     0.8176     0.0000 
   C   7    1.2109     0.8176     0.8627     1.2272     0.4703     0.9417 
   C   8    1.5036     1.5287     0.7703     1.0881     1.1419     1.9491 
   C   9    1.9676     1.9317     1.2094     1.5716     1.4964     2.3133 
   C  10    1.2751     0.8167     1.4107     1.5599     0.9448     0.4703 
   C  11    1.2417     1.1847     0.4750     0.9014     0.7668     1.5822 
   C  12    1.4106     0.9448     1.2751     1.5599     0.8167     0.8176 
   N  13    1.6815     1.2511     1.8840     2.0101     1.4187     0.8209 
   C  14    2.2435     2.2622     1.5119     1.8127     1.8481     2.6650 
   C  15    2.6174     2.6052     1.8715     2.1963     2.1709     2.9873 
   C  16    2.2046     2.3037     1.5369     1.7450     1.9389     2.7389 
   C  17    2.5452     2.6738     1.9082     2.0777     2.3220     3.1159 
   C  18    2.9134     2.9407     2.1898     2.4723     2.5218     3.3394 
   C  19    2.8811     2.9712     2.2053     2.4203     2.5881     3.3975 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.3232     0.0000 
   C   9    1.5468     0.4905     0.0000 
   C  10    0.8177     2.0614     2.3469     0.0000 
   C  11    0.9417     0.3875     0.7485     1.6750     0.0000 
   C  12    0.4704     1.7934     2.0039     0.4750     1.4107     0.0000 
   N  13    1.2493     2.5289     2.7947     0.4739     2.1416     0.8197 
   C  14    1.9308     0.7432     0.3894     2.7236     1.0833     2.3908 
   C  15    2.1936     1.1140     0.6748     3.0044     1.4207     2.6367 
   C  16    2.1055     0.7991     0.6733     2.8599     1.1850     2.5752 
   C  17    2.4949     1.1859     1.0301     3.2474     1.5728     2.9644 
   C  18    2.5720     1.4199     1.0326     3.3780     1.7598     3.0204 
   C  19    2.7057     1.4484     1.1697     3.4885     1.8231     3.1686 

              N  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
   C  14    3.1762     0.0000 
   C  15    3.4421     0.3935     0.0000 
   C  16    3.3260     0.3859     0.6762     0.0000 
   C  17    3.7143     0.6733     0.7828     0.3894     0.0000 
   C  18    3.8213     0.6787     0.3918     0.7820     0.6797     0.0000 
   C  19    3.9466     0.7803     0.6775     0.6766     0.3931     0.3915 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   N   1   -0.2238819632
   C   2    0.1001125038
   N   3   -0.3048121363
   C   4    0.1787822852
   C   5    0.0792661554
   C   6    0.0386687999
   C   7    0.0201515064
   C   8   -0.0017155066
   C   9   -0.0026439718
   C  10    0.0906890612
   C  11    0.1340313800
   C  12    0.0196377771
   N  13   -0.1280053008
   C  14   -0.0002618485
   C  15   -0.0000092497
   C  16   -0.0000092497
   C  17   -0.0000001207
   C  18   -0.0000001207
   C  19   -0.0000000010


BOND ANGLES
   5    3    4  Car  Nar  Car    107.687
   3    4    1  Nar  Car  Nar    108.692
  12    7    5  Car  Car  Car    120.498
   7    5    2  Car  Car  Car    119.754
  18   19   17  Car  Car  Car    120.063
  19   17   16  Car  Car  Car    119.680
   4    3    5  Car  Nar  Car    107.687
   3    5    2  Nar  Car  Car    107.964
   5    7   12  Car  Car  Car    120.498
   7   12   10  Car  Car  Car    119.748
  17   19   18  Car  Car  Car    120.063
  19   18   15  Car  Car  Car    119.752


TORSION ANGLES
   5    2    1    4      0.026
   6    2    1    4    179.974
  11    3    4    1    179.974
   5    3    4    1      0.026
   3    4    1    2      0.026
   7    5    2    1    179.974
   7    5    2    6      0.026
   3    5    2    1      0.026
   3    5    2    6    179.974
  10    6    2    1    179.974
  10    6    2    5      0.026
  12    7    5    2      0.026
  12    7    5    3    179.974
   9    8   11    3    179.974
  14    9    8   11    179.974
  12   10    6    2      0.026
  13   10    6    2    179.974
   8   11    3    4      0.026
   8   11    3    5    179.974
   7   12   10    6      0.026
   7   12   10   13    179.974
  15   14    9    8    179.974
  16   14    9    8      0.026
  18   15   14    9    179.974
  18   15   14   16      0.026
  17   16   14    9    179.974
  17   16   14   15      0.026
  19   17   16   14      0.026
  19   18   15   14      0.026
  18   19   17   16      0.026
   4    3    5    2      0.026
   4    3    5    7    179.974
  11    3    5    2    179.974
  11    3    5    7      0.026
   5    7   12   10      0.026
  17   19   18   15      0.026


CHIRAL ATOMS
   N     3 is chiral: counterclockwise