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Methyl 4-piperidinecarboxylate |
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ID: CHH15548 CAS:2971-79-1 Supplier:ChemiK Co.,Ltd. SMILES:N1CCC(CC1)C(=O)OC FORMULA: C7H13NO2
MASS: 143.1836
EXACT MASS: 143.0946287
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7482 0.0000
C 3 1.2960 0.7483 0.0000
C 4 1.4966 1.2961 0.7483 0.0000
C 5 1.2961 1.4966 1.2961 0.7484 0.0000
C 6 0.7483 1.2961 1.4966 1.2962 0.7483 0.0000
C 7 2.2448 1.9798 1.2960 0.7482 1.2961 1.9798
O 8 2.6980 2.5922 1.9798 1.2961 1.4966 2.2449
O 9 2.6980 2.2449 1.4966 1.2960 1.9798 2.5922
C 10 2.5921 1.9798 1.2961 1.4966 2.2449 2.6980
C 7 O 8 O 9 C 10
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C 7 0.0000
O 8 0.7484 0.0000
O 9 0.7483 1.2961 0.0000
C 10 1.2961 1.9799 0.7484 0.0000
ATOMIC CHARGES
N 1 -0.2180230058
C 2 0.0892561175
C 3 0.0299348775
C 4 0.1019209210
C 5 0.0299348775
C 6 0.0892561175
C 7 0.3166320905
O 8 -0.2501171990
O 9 -0.4443950490
C 10 0.2556002523
BOND ANGLES
6 1 2 C3 N3 C3 120.007
1 2 3 N3 C3 C3 119.998
7 4 5 C2 C3 C3 120.001
4 5 6 C3 C3 C3 120.001
2 1 6 C3 N3 C3 120.007
9 7 8 O3 C2 O2 119.994
8 7 9 O2 C2 O3 119.994
7 9 10 C2 O3 C3 119.994
5 4 7 C3 C3 C2 120.001
4 7 8 C3 C2 O2 120.001
4 7 9 C3 C2 O3 120.005
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
2 3 4 7 179.974
3 4 5 6 0.026
7 4 5 6 179.974
4 5 6 1 0.026
2 1 6 5 0.026
8 7 9 10 179.974
4 7 9 10 0.026
3 4 7 8 179.974
3 4 7 9 0.026
5 4 7 8 0.026
5 4 7 9 179.974
CHIRAL ATOMS
C 4 is chiral: counterclockwise
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