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N,N'-Dimethoxy-N,N'-dimethyloxamide |
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ID: API-28673 CAS:106675-70-1 Supplier:APIchem SMILES:CON(C)C(=O)C(=O)N(C)OC ChemMol.com FORMULA: C6H12N2O4
MASS: 176.1705
EXACT MASS: 176.0797069
INTERATOMIC DISTANCES
C 1 O 2 N 3 C 4 C 5 O 6
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C 1 0.0000
O 2 0.8249 0.0000
N 3 1.4289 0.8250 0.0000
C 4 1.6500 1.4290 0.8250 0.0000
C 5 2.1827 1.4290 0.8250 1.4290 0.0000
O 6 2.4750 1.6501 1.4290 2.1828 0.8250 0.0000
C 7 2.8578 2.1827 1.4289 1.6500 0.8249 1.4289
O 8 2.9745 2.4750 1.6500 1.4289 1.4289 2.1827
N 9 3.5960 2.8579 2.1827 2.4750 1.4289 1.6500
C 10 3.7806 2.9746 2.4750 2.9746 1.6500 1.4289
O 11 4.2868 3.5961 2.8579 2.9746 2.1827 2.4750
C 12 5.0183 4.2869 3.5961 3.7807 2.8579 2.9746
C 7 O 8 N 9 C 10 O 11 C 12
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C 7 0.0000
O 8 0.8250 0.0000
N 9 0.8250 1.4290 0.0000
C 10 1.4290 2.1828 0.8250 0.0000
O 11 1.4290 1.6501 0.8250 1.4290 0.0000
C 12 2.1828 2.4751 1.4290 1.6501 0.8250 0.0000
ATOMIC CHARGES
C 1 0.2058617416
O 2 -0.2598414687
N 3 -0.1589539447
C 4 0.1485884591
C 5 0.3270684828
O 6 -0.2627232701
C 7 0.3270684828
O 8 -0.2627232701
N 9 -0.1589539447
C 10 0.1485884591
O 11 -0.2598414687
C 12 0.2058617416
BOND ANGLES
5 3 4 C2 Nam C3 119.999
4 3 5 C3 Nam C2 119.999
3 5 6 Nam C2 O2 119.999
3 5 7 Nam C2 C2 119.999
7 5 6 C2 C2 O2 120.002
6 5 7 O2 C2 C2 120.002
5 7 8 C2 C2 O2 120.002
5 7 9 C2 C2 Nam 119.999
9 7 8 Nam C2 O2 119.999
8 7 9 O2 C2 Nam 119.999
7 9 10 C2 Nam C3 119.999
7 9 11 C2 Nam O3 120.002
11 9 10 O3 Nam C3 119.999
10 9 11 C3 Nam O3 119.999
9 11 12 Nam O3 C3 120.002
TORSION ANGLES
1 2 3 4 0.026
1 2 3 5 179.974
2 3 5 6 0.026
2 3 5 7 179.974
4 3 5 6 179.974
4 3 5 7 0.026
3 5 7 8 0.026
3 5 7 9 179.974
6 5 7 8 179.974
6 5 7 9 0.026
5 7 9 10 0.026
5 7 9 11 179.974
8 7 9 10 179.974
8 7 9 11 0.026
7 9 11 12 179.974
10 9 11 12 0.026
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