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2-oxa-7-azaspiro[4.4]nonan-1-one
2-oxa-7-azaspiro[4.4]nonan-1-one
ID: Cs00308
CAS:1309588-02-0
Supplier:Clousem

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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
              ------------------------------------------------------------------
   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
              --------------------------------------------
   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
   2    1    5   C3   N3   C3    108.001
   1    2    3   N3   C3   C3    108.002
   2    3    4   C3   C3   C3    107.997
   3    4    5   C3   C3   C3    108.000
   3    4    6   C3   C3   C3     72.000
   3    4    9   C3   C3   C2    179.974
   5    4    6   C3   C3   C3    179.974
   5    4    9   C3   C3   C2     72.000
   6    4    9   C3   C3   C2    108.000
   1    5    4   N3   C3   C3    107.999
   4    6    7   C3   C3   C3    107.999
   6    7    8   C3   C3   O3    108.001
   7    8    9   C3   O3   C2    108.002
   4    9    8   C3   C2   O3    107.997
   8    9   10   O3   C2   O2    126.000
   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
  10    9    4    6    179.974