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10-Amino-10-oxodecanoic acid |
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ID: 6892 CAS:6249-07-6 Supplier:SYNCHEM OHG SMILES:NC(=O)CCCCCCCCC(=O)O FORMULA: C10H19NO3
MASS: 201.2628
EXACT MASS: 201.1364935
INTERATOMIC DISTANCES
N 1 C 2 O 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.8254 0.0000
O 3 1.4295 0.8250 0.0000
C 4 1.4250 0.8233 1.4301 0.0000
C 5 2.1785 1.4250 1.6482 0.8254 0.0000
C 6 2.8543 2.1797 2.4733 1.4293 0.8251 0.0000
C 7 3.5922 2.8540 2.9716 2.1831 1.4290 0.8250
C 8 4.2832 3.5927 3.7779 2.8582 2.1828 1.4289
C 9 5.0144 4.2829 4.3621 3.5965 2.8579 2.1827
C 10 5.7122 5.0147 5.1489 4.2872 3.5961 2.8578
C 11 6.4396 5.7119 5.7714 5.0186 4.2869 3.5961
C 12 7.1411 6.4398 6.5448 5.7161 5.0183 4.2868
O 13 7.1890 6.5451 6.7501 5.7754 5.1522 4.3655
O 14 7.8662 7.1408 7.1884 6.4438 5.7158 5.0182
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 0.8249 0.0000
C 9 1.4289 0.8250 0.0000
C 10 2.1827 1.4289 0.8250 0.0000
C 11 2.8578 2.1827 1.4289 0.8250 0.0000
C 12 3.5960 2.8578 2.1827 1.4289 0.8249 0.0000
O 13 3.7806 2.9746 2.4750 1.6500 1.4289 0.8250
O 14 4.2868 3.5961 2.8578 2.1827 1.4289 0.8250
O 13 O 14
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O 13 0.0000
O 14 1.4289 0.0000
ATOMIC CHARGES
N 1 -0.0877937940
C 2 0.2607286858
O 3 -0.2716535678
C 4 0.0885298032
C 5 0.0096719854
C 6 0.0005040596
C 7 0.0000128313
C 8 0.0000136969
C 9 0.0005727417
C 10 0.0118027317
C 11 0.1140592609
C 12 0.3648592658
O 13 -0.2456538502
O 14 -0.2456538502
BOND ANGLES
3 2 4 O2 C2 C3 120.360
2 4 5 C2 C3 C3 119.617
4 2 3 C3 C2 O2 120.360
14 12 13 O.co2 Cac O.co2 119.994
13 12 14 O.co2 Cac O.co2 119.994
TORSION ANGLES
3 2 4 5 0.026
1 2 4 5 179.974
6 7 8 9 179.974
2 4 5 6 179.974
7 8 9 10 179.974
8 9 10 11 179.974
9 10 11 12 179.974
4 5 6 7 179.974
10 11 12 13 0.026
10 11 12 14 179.974
5 6 7 8 179.974
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