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2,7-diazaspiro[4.5]decan-1-one hydrochloride
2,7-diazaspiro[4.5]decan-1-one hydrochloride
ID: Cs00289
CAS:1187173-43-8
Supplier:Clousem

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SMILES:C1CNCC2(C1)C(=O)NCC2.Cl	
FORMULA: C8H15ClN2O
MASS: 190.6705
EXACT MASS: 190.0872908
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5229     0.0000 
   N   3    2.6378     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6380     3.0460     2.6380     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    4.0766     4.1293     3.1810     1.6590     1.5230     3.0419 
   N   8    5.0743     5.4432     4.6616     3.1548     2.4642     3.7377 
   C   9    4.6616     5.4432     5.0743     3.7377     2.4642     3.1548 
   C  10    3.1809     4.1293     4.0766     3.0418     1.5230     1.6590 
   O  11    4.8306     4.3853     3.0321     1.8058     2.7140     4.1717 
  Cl  12    2.4856     1.2080     2.2348     3.6399     4.2390     3.7991 

              C   7      N   8      C   9      C  10      O  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.5229     0.0000 
   C   9    2.4642     1.5230     0.0000 
   C  10    2.4642     2.4643     1.5230     0.0000 
   O  11    1.5230     2.7139     3.9409     3.9409     0.0000 
  Cl  12    5.2263     6.5985     6.6501     5.3310     5.2655     0.0000 




ATOMIC CHARGES
   C   1    0.0193309464
   C   2    0.0887232223
   N   3   -0.2175581552
   C   4    0.0973212365
   C   5    0.0882507211
   C   6    0.0116117620
   C   7    0.2418640746
   N   8   -0.2053939193
   C   9    0.1156698519
   C  10    0.0334996980
   O  11   -0.2733194383
  Cl  12    0.0000000000


BOND ANGLES
   2    1    6   C3   C3   C3    120.004
   1    2    3   C3   C3   N3    120.001
   2    3    4   C3   N3   C3    119.999
   3    4    5   N3   C3   C3    120.001
   4    5    6   C3   C3   C3    119.996
   4    5    7   C3   C3   C2     66.001
   4    5   10   C3   C3   C3    174.003
   6    5    7   C3   C3   C2    174.002
   6    5   10   C3   C3   C3     66.001
   7    5   10   C2   C3   C3    108.001
   1    6    5   C3   C3   C3    119.998
   5    7    8   C3   C2  Nam    108.001
   5    7   11   C3   C2   O2    126.000
   8    7   11  Nam   C2   O2    125.999
   7    8    9   C2  Nam   C3    107.999
   8    9   10  Nam   C3   C3    108.000
   5   10    9   C3   C3   C3    107.999


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
   4    5    7   11      0.026
   6    5    7    8      0.026
   6    5    7   11    179.974
  10    5    7    8      0.026
  10    5    7   11    179.974
   5    7    8    9      0.026
  11    7    8    9    179.974
   7    8    9   10      0.026
   8    9   10    5      0.026
   9   10    5    4      0.026
   9   10    5    6    179.974
   9   10    5    7      0.026


CHIRAL ATOMS
   9   10    5    7      0.026