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ID: 1701407953 Supplier:Focus Synthesis LLC. SMILES:C1(CC1)(c1ccccc1)CN FORMULA: C10H13N
MASS: 147.2169
EXACT MASS: 147.1047994
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 N 6
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C 1 0.0000
C 2 0.8233 0.0000
C 3 0.8233 0.8250 0.0000
C 4 0.8250 1.5919 1.5919 0.0000
C 5 0.8250 0.8233 1.4280 1.1667 0.0000
N 6 1.4280 0.8250 1.6500 1.9737 0.8233 0.0000
C 7 1.4280 2.2512 1.9729 0.8233 1.9737 2.7577
C 8 1.4321 1.9742 2.2554 0.8305 1.2419 2.0173
C 9 2.1848 2.7921 2.9975 1.4321 2.0651 2.8227
C 10 2.1821 2.9944 2.7912 1.4280 2.5725 3.3916
C 11 2.4750 3.2141 3.2141 1.6500 2.6089 3.4193
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 1.4333 0.0000
C 9 1.6538 0.8250 0.0000
C 10 0.8250 1.6538 1.4333 0.0000
C 11 1.4280 1.4321 0.8305 0.8233 0.0000
ATOMIC CHARGES
C 1 0.0366095851
C 2 0.0058651808
C 3 0.0058651808
C 4 -0.0213945174
C 5 0.1132435872
N 6 -0.1310417909
C 7 -0.0042413866
C 8 -0.0042413866
C 9 -0.0003222157
C 10 -0.0003222157
C 11 -0.0000200211
BOND ANGLES
2 3 1 C3 C3 C3 59.931
11 10 7 Car Car Car 120.069
10 7 4 Car Car Car 120.069
1 3 2 C3 C3 C3 59.931
3 2 1 C3 C3 C3 59.931
7 10 11 Car Car Car 120.069
10 11 9 Car Car Car 120.150
TORSION ANGLES
3 2 1 3 0.026
3 2 1 4 179.974
3 2 1 5 179.974
2 3 1 2 0.026
2 3 1 4 179.974
2 3 1 5 0.026
7 4 1 2 179.974
7 4 1 3 0.026
7 4 1 5 179.974
8 4 1 2 0.026
8 4 1 3 179.974
8 4 1 5 0.026
6 5 1 2 0.026
6 5 1 3 0.026
6 5 1 4 179.974
10 7 4 1 179.974
10 7 4 8 0.026
9 8 4 1 179.974
9 8 4 7 0.026
11 9 8 4 0.026
11 10 7 4 0.026
10 11 9 8 0.026
1 3 2 1 0.026
7 10 11 9 0.026
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