SMILES:C(=O)(/C=C/C)N	

FORMULA: C4H7NO
MASS: 85.1045
EXACT MASS: 85.0527638
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3272     0.0000 
   O   3    1.3292     2.2999     0.0000 
   C   4    2.3042     1.3308     2.6601     0.0000 
   N   5    1.3272     2.3000     2.2999     3.5172     0.0000 
   C   6    3.5172     2.3042     3.9873     1.3272     4.6042     0.0000 




ATOMIC CHARGES
   C   1    0.2839879738
   C   2    0.0565683118
   O   3   -0.2666758673
   C   4   -0.0210297353
   N   5   -0.0837023070
   C   6    0.0308516239


BOND ANGLES


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