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tert-butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
tert-butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
ID: Cs00290
CAS:923009-50-1
Supplier:Clousem

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SMILES:C1CN(C(=O)OC(C)(C)C)CC2(C1)C(=O)NCC2	
FORMULA: C13H22N2O3
MASS: 254.3254
EXACT MASS: 254.1630426
INTERATOMIC DISTANCES

              C   1      C   2      N   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.6379     1.5230     0.0000 
   O   4    5.2758     4.0295     2.6379     0.0000 
   C   5    6.6386     5.2759     4.0295     1.5230     0.0000 
   C   6    6.1932     4.7031     3.8130     2.1539     1.5230     0.0000 
   C   7    7.3774     6.1798     4.7512     2.1539     1.5230     3.0460 
   C   8    8.0589     6.6386     5.4912     3.0460     1.5230     2.1538 
   C   9    4.0295     2.6380     1.5230     1.5230     2.6379     2.2936 
   O  10    4.5690     3.0461     2.6379     2.6379     3.0460     1.8875 
   C  11    3.0460     2.6379     1.5230     3.0460     4.5690     4.8162 
   C  12    2.6379     3.0460     2.6379     4.5690     6.0921     6.2796 
   C  13    1.5230     2.6379     3.0460     5.4912     6.9793     6.8566 
   C  14    4.0766     4.1293     3.1809     4.1874     5.6466     6.2002 
   N  15    5.0742     5.4431     4.6616     5.6240     7.0305     7.6870 
   C  16    4.6615     5.4431     5.0742     6.6093     8.0931     8.5347 
   C  17    3.1809     4.1293     4.0766     6.0857     7.6084     7.7905 
   O  18    4.8306     4.3852     3.0319     2.9946     4.3336     5.1286 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.1538     0.0000 
   C   9    3.6463     4.0294     0.0000 
   O  10    4.4308     4.0294     1.5230     0.0000 
   C  11    4.8162     6.0920     2.6379     4.0295     0.0000 
   C  12    6.2796     7.6150     4.0295     5.2759     1.5230     0.0000 
   C  13    7.4194     8.4797     4.5690     5.4913     2.6379     1.5230 
   C  14    5.4742     7.1325     4.1844     5.6421     1.6590     1.5231 
   N  15    6.6638     8.4772     5.7069     7.1628     3.1548     2.4642 
   C  16    7.9244     9.5891     6.3722     7.7033     3.7377     2.4642 
   C  17    7.7280     9.1310     5.5237     6.6959     3.0418     1.5230 
   O  18    3.9872     5.7646     3.4708     4.9937     1.8057     2.7140 

              C  13      C  14      N  15      C  16      C  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.0418     0.0000 
   N  15    3.7376     1.5230     0.0000 
   C  16    3.1547     2.4643     1.5230     0.0000 
   C  17    1.6590     2.4643     2.4642     1.5229     0.0000 
   O  18    4.1716     1.5230     2.7140     3.9409     3.9409     0.0000 




ATOMIC CHARGES
   C   1    0.0221543503
   C   2    0.0967500227
   N   3   -0.2455418426
   O   4   -0.4417879944
   C   5    0.1378299074
   C   6    0.0437415187
   C   7    0.0437415187
   C   8    0.0437415187
   C   9    0.4046534013
   O  10   -0.2261969230
   C  11    0.1053318154
   C  12    0.0905483632
   C  13    0.0121599439
   C  14    0.2421221317
   N  15   -0.2053856456
   C  16    0.1156799063
   C  17    0.0337670534
   O  18   -0.2733090460


BOND ANGLES
   2    1   13   C3   C3   C3    120.001
   1    2    3   C3   C3  Nam    120.000
   2    3   11   C3  Nam   C3    119.999
   2    3    9   C3  Nam   C2    120.002
   9    3   11   C2  Nam   C3    119.999
   5    4    9   C3   O3   C2    120.000
   4    5    6   O3   C3   C3     90.000
   4    5    7   O3   C3   C3     90.002
   4    5    8   O3   C3   C3    179.974
   6    5    7   C3   C3   C3    179.974
   6    5    8   C3   C3   C3     89.998
   7    5    8   C3   C3   C3     90.000
   3    9   10  Nam   C2   O2    119.999
   3    9    4  Nam   C2   O3    120.000
   4    9   10   O3   C2   O2    120.001
   3   11   12  Nam   C3   C3    119.999
  11   12   13   C3   C3   C3    120.000
  11   12   14   C3   C3   C2     65.998
  11   12   17   C3   C3   C3    173.998
  13   12   14   C3   C3   C2    174.002
  13   12   17   C3   C3   C3     66.002
  14   12   17   C2   C3   C3    108.001
   1   13   12   C3   C3   C3    120.001
  12   14   15   C3   C2  Nam    107.996
  12   14   18   C3   C2   O2    125.998
  15   14   18  Nam   C2   O2    126.006
  14   15   16   C2  Nam   C3    108.003
  15   16   17  Nam   C3   C3    108.000
  12   17   16   C3   C3   C3    108.001


TORSION ANGLES
  13    1    2    3      0.026
   1    2    3   11      0.026
   1    2    3    9    179.974
   2    3   11   12      0.026
   9    3   11   12    179.974
   3   11   12   13      0.026
   3   11   12   14    179.974
   3   11   12   17    179.974
  11   12   13    1      0.026
  14   12   13    1    179.974
  17   12   13    1    179.974
  12   13    1    2      0.026
  11   12   14   15    179.974
  11   12   14   18      0.026
  13   12   14   15      0.026
  13   12   14   18    179.974
  17   12   14   15      0.026
  17   12   14   18    179.974
  12   14   15   16      0.026
  18   14   15   16    179.974
  14   15   16   17      0.026
  15   16   17   12      0.026
  16   17   12   11      0.026
  16   17   12   13    179.974
  16   17   12   14      0.026
   2    3    9   10      0.026
   2    3    9    4    179.974
  11    3    9   10    179.974
  11    3    9    4      0.026
   9    4    5    6      0.026
   9    4    5    7    179.974
   9    4    5    8      0.026
   5    4    9    3    179.974
   5    4    9   10      0.026


CHIRAL ATOMS
   5    4    9   10      0.026