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ID: Supplier:Focus Synthesis LLC. SMILES:C1(CC1)NCC1CCC1.Cl FORMULA: C8H16ClN
MASS: 161.6723
EXACT MASS: 161.0971272
INTERATOMIC DISTANCES
C 1 C 2 C 3 N 4 C 5 Cl 6
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C 1 0.0000
C 2 0.8261 0.0000
C 3 0.8257 0.8358 0.0000
N 4 0.8364 1.6022 1.6063 0.0000
C 5 1.3232 1.7998 2.1445 0.8316 0.0000
Cl 6 1.4550 0.6979 1.4981 2.1169 2.0626 0.0000
C 7 1.9258 2.5500 2.7381 1.1553 0.8178 2.8734
C 8 3.0590 3.7154 3.8495 2.2432 1.9657 4.0283
C 9 2.4207 3.1586 3.1632 1.5843 1.5907 3.5787
C 10 2.6860 3.2168 3.5100 1.9643 1.4177 3.4208
H 11 1.0154 0.7835 1.5106 1.4230 1.2429 0.8215
C 7 C 8 C 9 C 10 H 11
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C 7 0.0000
C 8 1.1668 0.0000
C 9 0.8250 0.8250 0.0000
C 10 0.8246 0.8191 1.1622 0.0000
H 11 2.0570 3.2078 2.7847 2.6050 0.0000
ATOMIC CHARGES
C 1 0.0728681904
C 2 0.0188113032
C 3 0.0188113032
N 4 -0.2194637680
C 5 0.0885974790
Cl 6 -0.1453996612
C 7 0.0174195892
C 8 0.0000926876
C 9 0.0014316078
C 10 0.0014316078
H 11 0.1453996612
BOND ANGLES
2 3 1 C3 C3 C3 59.629
10 8 9 C3 C3 C3 89.964
8 9 7 C3 C3 C3 90.005
1 3 2 C3 C3 C3 59.629
3 2 1 C3 C3 C3 59.583
9 8 10 C3 C3 C3 89.964
8 10 7 C3 C3 C3 90.448
TORSION ANGLES
3 2 1 3 0.026
3 2 1 4 179.974
2 3 1 2 0.026
2 3 1 4 179.974
5 4 1 2 0.026
5 4 1 3 179.974
7 5 4 1 179.974
9 7 5 4 0.026
10 7 5 4 179.974
10 8 9 7 0.026
8 9 7 5 179.974
8 9 7 10 0.026
8 10 7 5 179.974
8 10 7 9 0.026
1 3 2 1 0.026
9 8 10 7 0.026
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