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L(+)-2-Aminobutyric acid |
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ID: API-44164 CAS:1492-24-6 Supplier:APIchem SMILES:OC(=O)C(N)CC ChemMol.com FORMULA: C4H9NO2
MASS: 103.1198
EXACT MASS: 103.0633285
INTERATOMIC DISTANCES
O 1 O 2 N 3 C 4 C 5 C 6
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O 1 0.0000
O 2 1.7320 0.0000
N 3 2.6458 2.0000 0.0000
C 4 1.7320 1.7320 1.0001 0.0000
C 5 2.0000 2.6457 1.7321 1.0000 0.0000
C 6 3.0000 3.4641 2.0000 1.7321 1.0001 0.0000
C 7 1.0000 1.0000 1.7321 1.0000 1.7320 2.6458
H 8 1.9293 1.0828 0.9341 0.8500 1.8500 2.5045
H 9 2.1943 3.1512 2.3451 1.5967 0.6200 1.0813
H 10 1.4332 2.4059 2.0295 1.0812 0.6199 1.5968
H 11 3.0634 3.1995 1.4956 1.5201 1.1767 0.6200
H 12 3.6200 4.0130 2.3716 2.2901 1.6200 0.6200
H 13 3.0634 3.8121 2.5558 2.1114 1.1766 0.6200
H 14 3.1408 2.6200 0.6200 1.4158 1.8397 1.7732
H 15 2.8292 1.7733 0.6200 1.4158 2.2901 2.6200
H 16 0.6201 1.8397 3.1409 2.2901 2.6200 3.6201
C 7 H 8 H 9 H 10 H 11 H 12
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C 7 0.0000
H 8 0.9341 0.0000
H 9 2.1829 2.4418 0.0000
H 10 1.4155 1.8462 0.7971 0.0000
H 11 2.5121 2.1611 1.5201 1.7880 0.0000
H 12 3.2380 3.0073 1.6309 2.2128 0.8768 0.0000
H 13 2.9083 2.9400 0.8924 1.6343 1.2399 0.8768
H 14 2.2901 1.5505 2.3980 2.2859 1.1752 2.0000
H 15 1.8397 0.9072 2.9097 2.4959 2.1060 2.9788
H 16 1.4158 2.3324 2.7952 2.0485 3.6728 4.2400
H 13 H 14 H 15 H 16
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H 13 0.0000
H 14 2.3825 0.0000
H 15 3.1721 1.0739 0.0000
H 16 3.6728 3.6740 3.2380 0.0000
ATOMIC CHARGES
O 1 -0.4795344221
O 2 -0.2492543881
N 3 -0.3184082846
C 4 0.1029920041
C 5 -0.0302180277
C 6 -0.0633534465
C 7 0.3217037790
H 8 0.0573772056
H 9 0.0282843196
H 10 0.0282843196
H 11 0.0230377749
H 12 0.0230377749
H 13 0.0230377749
H 14 0.1189552080
H 15 0.1189552080
H 16 0.2951032005
BOND ANGLES
16 1 7 HO O3 C2 120.002
7 1 16 C2 O3 HO 120.002
14 3 4 HC N3 C3 120.000
3 4 5 N3 C3 C3 119.998
3 4 7 N3 C3 C2 120.001
3 4 8 N3 C3 HC 60.002
15 3 4 HC N3 C3 119.998
3 4 5 N3 C3 C3 119.998
3 4 7 N3 C3 C2 120.001
3 4 8 N3 C3 HC 60.002
4 3 14 C3 N3 HC 120.000
15 3 14 HC N3 HC 120.002
4 3 15 C3 N3 HC 119.998
14 3 15 HC N3 HC 120.002
7 4 5 C2 C3 C3 120.001
4 5 6 C3 C3 C3 119.998
4 5 9 C3 C3 HC 160.004
4 5 10 C3 C3 HC 79.995
8 4 5 HC C3 C3 179.974
4 5 6 C3 C3 C3 119.998
4 5 9 C3 C3 HC 160.004
4 5 10 C3 C3 HC 79.995
5 4 7 C3 C3 C2 120.001
8 4 7 HC C3 C2 59.999
5 4 8 C3 C3 HC 179.974
7 4 8 C2 C3 HC 59.999
9 5 6 HC C3 C3 79.998
5 6 11 C3 C3 HC 90.004
5 6 12 C3 C3 HC 179.974
5 6 13 C3 C3 HC 89.996
10 5 6 HC C3 C3 160.007
5 6 11 C3 C3 HC 90.004
5 6 12 C3 C3 HC 179.974
5 6 13 C3 C3 HC 89.996
6 5 9 C3 C3 HC 79.998
10 5 9 HC C3 HC 80.009
6 5 10 C3 C3 HC 160.007
9 5 10 HC C3 HC 80.009
12 6 11 HC C3 HC 90.000
13 6 11 HC C3 HC 179.974
11 6 12 HC C3 HC 90.000
13 6 12 HC C3 HC 90.000
11 6 13 HC C3 HC 179.974
12 6 13 HC C3 HC 90.000
TORSION ANGLES
16 1 7 2 0.026
16 1 7 4 179.974
14 3 4 5 0.026
14 3 4 7 179.974
14 3 4 8 179.974
15 3 4 5 179.974
15 3 4 7 0.026
15 3 4 8 0.026
3 4 5 6 0.026
3 4 5 9 179.974
3 4 5 10 179.974
7 4 5 6 179.974
7 4 5 9 0.026
7 4 5 10 0.026
8 4 5 6 180.000
8 4 5 9 180.000
8 4 5 10 180.000
3 4 7 1 179.974
3 4 7 2 0.026
5 4 7 1 0.026
5 4 7 2 179.974
8 4 7 1 179.974
8 4 7 2 0.026
4 5 6 11 0.026
4 5 6 12 179.974
4 5 6 13 179.974
9 5 6 11 179.974
9 5 6 12 0.026
9 5 6 13 0.026
10 5 6 11 179.974
10 5 6 12 0.026
10 5 6 13 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
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