SMILES:n1ccc(NC)cc1	

FORMULA: C6H8N2
MASS: 108.1411
EXACT MASS: 108.0687483
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4875     0.0000 
   N   3    2.2333     0.7458     0.0000 
   C   4    1.2822     0.7396     1.2894     0.0000 
   C   5    1.2956     0.7463     1.2885     1.2875     0.0000 
   C   6    0.7483     1.2921     1.9727     1.4859     0.7500     0.0000 
   C   7    0.7375     1.2859     1.9686     0.7417     1.4900     1.2875 
   C   8    2.6790     1.2864     0.7426     1.9646     1.4792     2.2292 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    2.5722     0.0000 



ATOMIC CHARGES
   N   1   -0.2422308858
   C   2    0.0684659556
   N   3   -0.2356207766
   C   4    0.0367558321
   C   5    0.0367558321
   C   6    0.1002078884
   C   7    0.1002078884
   C   8    0.1354582658


BOND ANGLES
   2    5    6  Car  Car  Car    119.430
   5    6    1  Car  Car  Nar    119.703
   6    5    2  Car  Car  Car    119.430
   5    2    4  Car  Car  Car    120.105


TORSION ANGLES
   3    2    4    7    179.974
   5    2    4    7      0.026
   8    3    2    4    179.974
   8    3    2    5      0.026
   2    4    7    1      0.026
   2    5    6    1      0.026
   5    6    1    7      0.026
   4    7    1    6      0.026
   6    5    2    4      0.026
   6    5    2    3    179.974