SMILES:n1(ncc2c1ccc(c2)N)Cc1ccccc1	

FORMULA: C14H13N3
MASS: 223.2731
EXACT MASS: 223.1109474
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5292     0.0000 
   C   3    0.7634     0.7953     0.0000 
   C   4    0.4731     0.8184     0.4708     0.0000 
   C   5    0.7625     0.4686     0.4730     0.7633     0.0000 
   C   6    0.5208     0.9948     1.2233     0.8044     1.2833     0.0000 
   C   7    0.8632     1.2857     0.8176     0.4724     1.2109     0.9596 
   C   8    1.2109     1.2562     0.4724     0.8176     0.8632     1.6209 
   C   9    1.4088     1.5995     0.8167     0.9427     1.2751     1.7025 
   C  10    1.2751     1.6111     0.9427     0.8167     1.4088     1.4314 
   C  11    0.8086     1.1667     1.5613     1.1733     1.5403     0.3851 
   N  12    1.8802     2.0423     1.2478     1.4150     1.6775     2.1671 
   C  13    1.2319     1.6125     1.9625     1.5396     1.9789     0.7400 
   C  14    0.8691     1.0136     1.6145     1.3256     1.4598     0.6958 
   C  15    1.3152     1.3938     2.0512     1.7737     1.8570     1.1064 
   C  16    1.5764     1.8722     2.3324     1.9368     2.2849     1.1336 
   C  17    1.6074     1.7800     2.3677     2.0320     2.2307     1.2720 

              C   7      C   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9458     0.0000 
   C   9    0.8176     0.4724     0.0000 
   C  10    0.4724     0.8176     0.4708     0.0000 
   C  11    1.3412     1.9826     2.0857     1.8136     0.0000 
   N  12    1.2496     0.8167     0.4724     0.8176     2.5515     0.0000 
   C  13    1.6065     2.3571     2.4008     2.0695     0.4458     2.8523 
   C  14    1.6123     2.0751     2.2683     2.0727     0.4445     2.7407 
   C  15    2.0489     2.5159     2.7164     2.5135     0.7708     3.1888 
   C  16    2.0428     2.7507     2.8259     2.5093     0.7711     3.2831 
   C  17    2.2295     2.8175     2.9627     2.7019     0.8884     3.4317 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    0.7726     0.0000 
   C  15    0.8904     0.4481     0.0000 
   C  16    0.4460     0.8917     0.7690     0.0000 
   C  17    0.7708     0.7711     0.4417     0.4445     0.0000 



ATOMIC CHARGES
   N   1   -0.2463602941
   N   2   -0.1673925204
   C   3    0.0395180143
   C   4    0.0798396133
   C   5    0.1216281115
   C   6    0.1537772936
   C   7    0.0201768973
   C   8    0.0211486103
   C   9    0.0892388987
   C  10    0.0195887605
   C  11    0.0021047684
   N  12   -0.1280553620
   C  13   -0.0023358660
   C  14   -0.0023358660
   C  15   -0.0002612825
   C  16   -0.0002612825
   C  17   -0.0000184944


BOND ANGLES
   5    3    4  Car  Car  Car    107.952
   3    4    1  Car  Car  Nar    107.964
   8    9   10  Car  Car  Car    120.180
   9   10    7  Car  Car  Car    120.180
  16   17   15  Car  Car  Car    120.413
  17   15   14  Car  Car  Car    120.141
   4    3    5  Car  Car  Car    107.952
   3    5    2  Car  Car  Nar    115.249
  10    9    8  Car  Car  Car    120.180
   9    8    3  Car  Car  Car    119.635
  15   17   16  Car  Car  Car    120.413
  17   16   13  Car  Car  Car    119.901


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise