SMILES:N(c1ncc(N)cc1)C(=O)C	

FORMULA: C7H9N3O
MASS: 151.1659
EXACT MASS: 151.0745619
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2917     0.0000 
   C   3    0.7463     0.7391     0.0000 
   C   4    0.7396     1.9653     1.2875     0.0000 
   O   5    1.2760     2.2162     1.4771     0.7376     0.0000 
   C   6    1.9719     0.7426     1.2875     2.5750     2.6688     0.0000 
   C   7    2.2342     1.2864     1.4879     2.6785     2.5625     0.7458 
   C   8    1.2885     1.2843     0.7458     1.4838     1.2750     1.4879 
   N   9    2.9696     1.9583     2.2233     3.3970     3.2209     1.2822 
   C  10    1.9701     1.4875     1.2915     2.2270     1.9530     1.2935 
   C  11    1.2875     2.5792     1.9711     0.7483     1.2912     3.2453 

              C   7      C   8      N   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.2875     0.0000 
   N   9    0.7354     1.9596     0.0000 
   C  10    0.7468     0.7432     1.2833     0.0000 
   C  11    3.4101     2.2321     4.1346     2.9753     0.0000 



ATOMIC CHARGES
   N   1   -0.1603623884
   N   2   -0.2258811157
   C   3    0.1545565787
   C   4    0.2473818953
   O   5   -0.2729251651
   C   6    0.1183417929
   C   7    0.1082946574
   C   8    0.0376048258
   N   9   -0.1264261252
   C  10    0.0225696965
   C  11    0.0968453477


BOND ANGLES
   6    7   10  Car  Car  Car    120.143
   7   10    8  Car  Car  Car    119.556
  10    7    6  Car  Car  Car    120.143
   7    6    2  Car  Car  Nar    119.589


TORSION ANGLES
   6    2    3    1    179.974
   6    2    3    8      0.026
   2    3    1    4    179.974
   8    3    1    4      0.026
   5    4    1    3      0.026
  11    4    1    3    179.974
   7    6    2    3      0.026
   9    7   10    8    179.974
   6    7   10    8      0.026
  10    8    3    2      0.026
  10    8    3    1    179.974
   7   10    8    3      0.026
  10    7    6    2      0.026
   9    7    6    2    179.974