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Products Information


ID: 1701407861
Supplier:Focus Synthesis LLC.

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SMILES:C(CCN)(F)F	
FORMULA: C3H7F2N
MASS: 95.0912
EXACT MASS: 95.0546557
INTERATOMIC DISTANCES

              C   1      C   2      F   3      F   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8354     0.0000 
   F   3    0.8116     1.4228     0.0000 
   F   4    0.8305     1.4355     1.4325     0.0000 
   N   5    2.1387     1.3474     2.7665     2.4783     0.0000 
   C   6    1.4459     0.8250     2.1808     1.6646     0.8234     0.0000 




ATOMIC CHARGES
   C   1    0.3200614797
   C   2    0.0927634838
   F   3   -0.1983853461
   F   4   -0.1983853461
   N   5   -0.1311903521
   C   6    0.1151360808


BOND ANGLES
   2    1    3   C3   C3    F    119.504
   2    1    4   C3   C3    F    119.023
   3    1    4    F   C3    F    121.473
   1    2    6   C3   C3   C3    121.102
   2    6    5   C3   C3   N3    109.648


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