SMILES:n1cncc(c1)CO	

FORMULA: C5H6N2O
MASS: 110.1139
EXACT MASS: 110.0480128
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2958     0.0000 
   C   3    1.2967     1.3035     0.0000 
   C   4    0.7442     0.7426     1.4918     0.0000 
   C   5    0.7542     1.5008     0.7432     1.2942     0.0000 
   C   6    1.5035     0.7583     0.7535     1.2972     1.3000     0.0000 
   C   7    1.9844     1.9872     0.7500     2.2417     1.2951     1.2963 
   O   8    2.6032     2.2583     1.3065     2.7013     1.9858     1.5000 

              C   7      O   8
              ----------------------
   C   7    0.0000 
   O   8    0.7546     0.0000 



ATOMIC CHARGES
   N   1   -0.2226692517
   N   2   -0.2226692517
   C   3    0.0489217035
   C   4    0.1989021974
   C   5    0.1004485011
   C   6    0.1004485011
   C   7    0.2116803667
   O   8   -0.2150627664


BOND ANGLES
   2    6    3  Nar  Car  Car    119.120
   6    3    5  Car  Car  Car    120.579
   3    6    2  Car  Car  Nar    119.120
   6    2    4  Car  Nar  Car    119.589


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