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Products Information


ID: 1701407871
Supplier:Focus Synthesis LLC.

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SMILES:C(C#N)(C#N)C(F)F	
FORMULA: C4H2F2N2
MASS: 116.0689
EXACT MASS: 116.0186045
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.6377     0.0000 
   N   3    1.6549     2.5588     0.0000 
   C   4    0.8187     1.9695     0.8362     0.0000 
   C   5    0.8250     0.8127     1.9947     1.2696     0.0000 
   C   6    0.8299     2.1714     2.3409     1.5444     1.4318     0.0000 
   F   7    1.4310     2.9610     2.5083     1.8679     2.1831     0.8222 
   F   8    1.4368     2.1777     3.0749     2.2454     1.6583     0.8255 

              F   7      F   8
              ----------------------
   F   7    0.0000 
   F   8    1.4235     0.0000 



ATOMIC CHARGES
   C   1    0.2477223577
   N   2   -0.1946236589
   N   3   -0.1946236589
   C   4    0.0935325365
   C   5    0.0935325365
   C   6    0.3465194119
   F   7   -0.1960297624
   F   8   -0.1960297624


BOND ANGLES
   4    1    5   C1   C3   C1    101.145
   4    1    6   C1   C3   C3    139.037
   5    1    6   C1   C3   C3    119.818
   1    4    3   C3   C1   N1    178.653
   1    5    2   C3   C1   N1    179.649
   1    6    7   C3   C3    F    120.038
   1    6    8   C3   C3    F    120.442
   7    6    8    F   C3    F    119.520


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