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5,6,7,8-Tetrahydro-1-Naphthalenamine |
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ID: B184429 CAS:2217-41-6 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:c12c(N)cccc1CCCC2 FORMULA: C10H13N
MASS: 147.2169
EXACT MASS: 147.1047994
INTERATOMIC DISTANCES
C 1 C 2 C 3 N 4 C 5 C 6
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C 1 0.0000
C 2 0.7468 0.0000
C 3 0.7500 1.2931 0.0000
N 4 1.2885 0.7375 1.9699 0.0000
C 5 1.4879 1.2915 1.2792 1.9646 0.0000
C 6 0.7454 1.2875 1.3029 1.4853 2.2333 0.0000
C 7 1.2864 1.4875 0.7334 2.2250 0.7391 1.9705
C 8 1.2875 0.7432 1.4829 1.2822 0.7458 1.9661
C 9 1.2915 1.9736 0.7483 2.5799 1.9653 1.5000
C 10 1.2917 1.9735 1.5008 2.2378 2.6849 0.7525
C 11 1.4936 2.2404 1.3000 2.6906 2.5792 1.3029
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 1.2843 0.0000
C 9 1.2875 2.2311 0.0000
C 10 2.2342 2.5792 1.2956 0.0000
C 11 1.9711 2.6860 0.7483 0.7500 0.0000
ATOMIC CHARGES
C 1 -0.0093850203
C 2 0.0848000457
C 3 -0.0248481884
N 4 -0.1283975467
C 5 0.0010409329
C 6 0.0274125096
C 7 -0.0044924094
C 8 0.0177140436
C 9 0.0260873454
C 10 0.0050558820
C 11 0.0050124056
BOND ANGLES
5 8 2 Car Car Car 120.301
8 2 1 Car Car Car 119.556
11 9 3 C3 C3 Car 120.594
9 3 1 C3 Car Car 119.069
2 8 5 Car Car Car 120.301
8 5 7 Car Car Car 119.746
3 9 11 Car C3 C3 120.594
9 11 10 C3 C3 C3 119.703
TORSION ANGLES
4 2 1 3 179.974
4 2 1 6 0.026
8 2 1 3 0.026
8 2 1 6 179.974
7 3 1 2 0.026
7 3 1 6 179.974
9 3 1 2 179.974
9 3 1 6 0.026
8 5 7 3 0.026
10 6 1 2 179.974
10 6 1 3 0.026
5 7 3 1 0.026
5 7 3 9 179.974
5 8 2 1 0.026
5 8 2 4 179.974
11 9 3 1 0.026
11 9 3 7 179.974
11 10 6 1 0.026
9 11 10 6 0.026
2 8 5 7 0.026
3 9 11 10 0.026
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