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Products Information


ID: 1701407868
Supplier:Focus Synthesis LLC.

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SMILES:N#CCC(F)F	
FORMULA: C3H3F2N
MASS: 91.0594
EXACT MASS: 91.0233555
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      F   5      F   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.6480     0.8231     0.0000 
   C   4    2.1917     1.4436     0.8395     0.0000 
   F   5    2.9770     2.1879     1.4335     0.8219     0.0000 
   F   6    2.1924     1.6711     1.4477     0.8347     1.4419     0.0000 




ATOMIC CHARGES
   N   1   -0.1956755539
   C   2    0.0791723675
   C   3    0.1773979304
   C   4    0.3335295651
   F   5   -0.1972121546
   F   6   -0.1972121546


BOND ANGLES
   1    2    3   N1   C1   C3    178.957
   2    3    4   C1   C3   C3    120.508
   3    4    5   C3   C3    F    119.280
   3    4    6   C3   C3    F    119.709
   5    4    6    F   C3    F    121.011


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