SMILES:n1c(ccnc1)O	

FORMULA: C4H4N2O
MASS: 96.0874
EXACT MASS: 96.0323628
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7500     0.0000 
   N   3    1.2917     1.5008     0.0000 
   C   4    0.7411     1.2956     0.7483     0.0000 
   C   5    1.2931     0.7468     1.3014     1.4958     0.0000 
   O   6    1.2963     0.7463     2.2471     1.9755     1.2958     0.0000 
   C   7    1.4958     1.3000     0.7542     1.2993     0.7520     1.9834 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   N   1   -0.1855079001
   C   2    0.2823129430
   N   3   -0.2222359926
   C   4    0.2016869407
   C   5    0.0831962632
   O   6   -0.2650909506
   C   7    0.1056386965


BOND ANGLES
   7    5    2  Car  Car  Car    120.313
   5    2    1  Car  Car  Nar    119.509
   2    5    7  Car  Car  Car    120.313
   5    7    3  Car  Car  Nar    119.545


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