SMILES:C(=O)(C(=C)CCl)OC	ChemMol.com

FORMULA: C5H7ClO2
MASS: 134.5609
EXACT MASS: 134.0134571
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   O   4    1.5230     2.6379     4.0295     0.0000 
   O   5    1.5230     2.6379     3.0460     2.6379     0.0000 
   C   6    2.6379     1.5230     2.6379     3.0460     4.0295     0.0000 
  Cl   7    4.0294     2.6379     3.0460     4.5689     5.2758     1.5230 
   C   8    2.6379     4.0294     4.5689     3.0460     1.5230     5.2758 

             Cl   7      C   8
              ----------------------
  Cl   7    0.0000 
   C   8    6.6385     0.0000 



ATOMIC CHARGES
   C   1    0.3385092926
   C   2    0.0696982802
   C   3    0.0033049006
   O   4   -0.2452065936
   O   5   -0.4415178840
   C   6    0.1275762485
  Cl   7   -0.1083049775
   C   8    0.2559407331


BOND ANGLES
   4    1    2   O2   C2   C2    120.001
   1    2    3   C2   C2   C2    120.001
   1    2    6   C2   C2   C3    120.000
   5    1    2   O3   C2   C2    120.000
   1    2    3   C2   C2   C2    120.001
   1    2    6   C2   C2   C3    120.000
   6    2    3   C3   C2   C2    119.999
   2    1    4   C2   C2   O2    120.001
   5    1    4   O3   C2   O2    119.999
   2    1    5   C2   C2   O3    120.000
   1    5    8   C2   O3   C3    120.000
   4    1    5   O2   C2   O3    119.999
   1    5    8   C2   O3   C3    120.000
   3    2    6   C2   C2   C3    119.999
   2    6    7   C2   C3   Cl    120.000


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