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ID: 1701407871 Supplier:Focus Synthesis LLC. 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
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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
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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
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
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