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2-oxa-7-azaspiro[4.4]nonan-1-one
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ID: Cs00308
CAS:1309588-02-0 Supplier:Clousem SMILES:N1CCC2(C1)CCOC2=O FORMULA: C7H11NO2
MASS: 141.1677
EXACT MASS: 141.0789786
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 1.5229 0.0000
C 3 2.4643 1.5230 0.0000
C 4 2.4642 2.4642 1.5230 0.0000
C 5 1.5230 2.4642 2.4643 1.5230 0.0000
C 6 3.8032 3.2729 1.7904 1.5230 3.0460 0.0000
C 7 4.9285 4.6873 3.2729 2.4642 3.8032 1.5230
O 8 4.6873 4.9285 3.8033 2.4642 3.2729 2.4642
C 9 3.2729 3.8033 3.0461 1.5230 1.7904 2.4643
O 10 3.3685 4.4172 4.1294 2.7140 1.9596 3.9409
C 7 O 8 C 9 O 10
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C 7 0.0000
O 8 1.5229 0.0000
C 9 2.4643 1.5230 0.0000
O 10 3.9409 2.7140 1.5229 0.0000
ATOMIC CHARGES
N 1 -0.2174744426
C 2 0.0893062979
C 3 0.0309032081
C 4 0.1105405899
C 5 0.0993331428
C 6 0.0594522506
C 7 0.2090289859
O 8 -0.4484634563
C 9 0.3174545892
O 10 -0.2500811655
BOND ANGLES
6 4 5 C3 C3 C3 179.974
4 5 1 C3 C3 N3 107.999
5 4 6 C3 C3 C3 179.974
4 6 7 C3 C3 C3 107.999
10 9 4 O2 C2 C3 126.002
9 4 5 C2 C3 C3 72.000
9 4 6 C2 C3 C3 108.000
4 9 10 C3 C2 O2 126.002
TORSION ANGLES
5 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
2 3 4 6 179.974
2 3 4 9 180.000
3 4 5 1 0.026
6 4 5 1 180.000
9 4 5 1 179.974
4 5 1 2 0.026
3 4 6 7 179.974
5 4 6 7 180.000
9 4 6 7 0.026
4 6 7 8 0.026
6 7 8 9 0.026
7 8 9 4 0.026
7 8 9 10 179.974
8 9 4 3 180.000
8 9 4 5 179.974
8 9 4 6 0.026
10 9 4 3 180.000
10 9 4 5 0.026
10 9 4 6 179.974
CHIRAL ATOMS
C 4 is chiral: counterclockwise
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