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2,7-diazaspiro[4.5]decan-3-one
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ID: Cs00288
CAS:1158750-89-0 Supplier:Clousem SMILES:C1CNCC2(C1)CNC(=O)C2 FORMULA: C8H14N2O
MASS: 154.2096
EXACT MASS: 154.1106131
INTERATOMIC DISTANCES
C 1 C 2 N 3 C 4 C 5 C 6
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C 1 0.0000
C 2 1.5230 0.0000
N 3 2.6379 1.5230 0.0000
C 4 3.0460 2.6379 1.5230 0.0000
C 5 2.6379 3.0460 2.6379 1.5230 0.0000
C 6 1.5230 2.6379 3.0460 2.6379 1.5230 0.0000
C 7 4.0765 4.1293 3.1809 1.6589 1.5230 3.0419
N 8 5.0742 5.4432 4.6617 3.1548 2.4643 3.7377
C 9 4.6616 5.4432 5.0743 3.7377 2.4643 3.1548
C 10 3.1809 4.1293 4.0766 3.0419 1.5230 1.6590
O 11 5.8700 6.8259 6.5725 5.2599 3.9409 4.3505
C 7 N 8 C 9 C 10 O 11
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C 7 0.0000
N 8 1.5231 0.0000
C 9 2.4643 1.5230 0.0000
C 10 2.4643 2.4642 1.5230 0.0000
O 11 3.9409 2.7139 1.5230 2.7140 0.0000
ATOMIC CHARGES
C 1 0.0189197767
C 2 0.0886983025
N 3 -0.2179808144
C 4 0.0908018456
C 5 0.0449285285
C 6 0.0050642384
C 7 0.1169041288
N 8 -0.2053653157
C 9 0.2414698386
C 10 0.0899011873
O 11 -0.2733417164
BOND ANGLES
7 5 6 C3 C3 C3 174.003
5 6 1 C3 C3 C3 120.000
6 5 7 C3 C3 C3 174.003
5 7 8 C3 C3 Nam 107.996
11 9 10 O2 C2 C3 126.000
9 10 5 C2 C3 C3 107.998
10 9 11 C3 C2 O2 126.000
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
3 4 5 6 0.026
3 4 5 7 179.974
3 4 5 10 179.974
4 5 6 1 0.026
7 5 6 1 179.974
10 5 6 1 179.974
5 6 1 2 0.026
4 5 7 8 179.974
6 5 7 8 0.026
10 5 7 8 0.026
5 7 8 9 0.026
7 8 9 10 0.026
7 8 9 11 179.974
8 9 10 5 0.026
11 9 10 5 179.974
9 10 5 4 0.026
9 10 5 6 179.974
9 10 5 7 0.026
CHIRAL ATOMS
C 5 is chiral: counterclockwise
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