|
|
|
|
|
ID: Supplier:Focus Synthesis LLC. 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
TORSION ANGLES
6 2 1 3 179.974
6 2 1 4 0.026
5 6 2 1 179.974
|