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ID: 1701407875 Supplier:Focus Synthesis LLC. SMILES:N(CC(F)F)C1CCC1.Cl FORMULA: C6H12ClF2N
MASS: 171.6160
EXACT MASS: 171.0626335
INTERATOMIC DISTANCES
N 1 C 2 C 3 F 4 F 5 Cl 6
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N 1 0.0000
C 2 1.4285 0.0000
C 3 0.8267 0.8299 0.0000
F 4 2.1814 0.8259 1.6558 0.0000
F 5 2.0986 0.8254 1.3146 1.0035 0.0000
Cl 6 1.5210 1.7900 1.0921 2.5638 1.8432 0.0000
C 7 0.8174 2.1748 1.4198 2.9661 2.7300 1.5328
C 8 1.9877 3.3029 2.5006 4.1122 3.7617 2.1757
C 9 1.5265 2.6517 1.8237 3.4766 3.0156 1.3584
C 10 1.5197 2.9415 2.2288 3.6996 3.5432 2.2883
H 11 1.4502 0.8255 1.3147 1.0035 1.5935 2.4037
H 12 1.9095 2.5637 1.7863 3.3624 2.6688 0.8258
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 1.1703 0.0000
C 9 0.8306 0.8187 0.0000
C 10 0.8246 0.8187 1.1579 0.0000
H 11 2.2668 3.4366 2.9356 2.8962 0.0000
H 12 1.5272 1.6685 0.9173 2.0622 3.0827 0.0000
ATOMIC CHARGES
N 1 -0.2141137014
C 2 0.2626980794
C 3 0.1508826971
F 4 -0.2070418979
F 5 -0.2070418979
Cl 6 -0.1453996612
C 7 0.0729720634
C 8 0.0028591992
C 9 0.0174303087
C 10 0.0174303087
H 11 0.1039248407
H 12 0.1453996612
BOND ANGLES
10 8 9 C3 C3 C3 90.000
8 9 7 C3 C3 C3 90.396
9 8 10 C3 C3 C3 90.000
8 10 7 C3 C3 C3 90.825
TORSION ANGLES
4 2 3 1 180.000
5 2 3 1 179.974
11 2 3 1 0.026
2 3 1 7 179.974
9 7 1 3 0.026
10 7 1 3 179.974
10 8 9 7 0.026
8 9 7 1 179.974
8 9 7 10 0.026
8 10 7 1 179.974
8 10 7 9 0.026
9 8 10 7 0.026
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