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tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
ID: Cs00343
CAS:1023595-19-8
Supplier:Clousem

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SMILES:C1CC2(CNC1)CCN(CC2)C(=O)OC(C)(C)C	
FORMULA: C14H26N2O2
MASS: 254.3684
EXACT MASS: 254.1994281
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   N   5    2.6379     3.0460     2.6379     1.5229     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    3.0460     1.5229     1.5230     3.0460     4.0294     4.0295 
   C   8    4.5690     3.0460     2.6379     4.0295     5.2758     5.4913 
   N   9    5.4927     4.0314     3.0460     4.0276     5.4898     6.0920 
   C  10    5.2758     4.0294     2.6379     3.0460     4.5689     5.4912 
   C  11    4.0295     3.0460     1.5230     1.5230     3.0460     4.0295 
   C  12    6.9729     5.4846     4.5637     5.4875     6.9751     7.6097 
   O  13    8.0595     6.6382     5.4930     6.0968     7.6197     8.4826 
   C  14    9.5233     8.0696     6.9940     7.6346     9.1575    10.0032 
   O  15    7.5943     6.0713     5.4718     6.6207     8.0403     8.4597 
   C  16   10.7613     9.2697     8.3150     9.0679    10.5878    11.3531 
   C  17    8.9227     7.4133     6.5757     7.4951     8.9907     9.6204 
   C  18   10.6475     9.2468     8.0485     8.4804     9.9891    10.9777 

              C   7      C   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   N   9    2.6409     1.5281     0.0000 
   C  10    3.0460     2.6379     1.5179     0.0000 
   C  11    2.6379     3.0460     2.6350     1.5229     0.0000 
   C  12    4.0225     2.6303     1.5177     2.6363     4.0263     0.0000 
   O  13    5.2739     4.0252     2.6331     3.0508     4.5738     1.5227 
   C  14    6.6471     5.2808     4.0383     4.5886     6.1115     2.6505 
   O  15    4.5483     3.0253     2.6243     4.0157     5.2592     1.5126 
   C  16    7.7905     6.3319     5.2854     6.0326     7.5491     3.7884 
   C  17    5.9111     4.4230     3.5335     4.5587     6.0132     2.0205 
   C  18    7.8916     6.6097     5.2509     5.4866     6.9779     4.0045 

              O  13      C  14      O  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   C  14    1.5378     0.0000 
   O  15    2.6287     3.0480     0.0000 
   C  16    3.0115     1.5319     3.5984     0.0000 
   C  17    1.9732     1.5554     1.6679     1.9511     0.0000 
   C  18    2.6178     1.4849     4.5329     1.9863     2.9975     0.0000 




ATOMIC CHARGES
   C   1    0.0188521845
   C   2    0.0029746375
   C   3    0.0194650808
   C   4    0.0887169538
   N   5   -0.2180505717
   C   6    0.0886964491
   C   7    0.0230591808
   C   8    0.0967690071
   N   9   -0.2460227355
   C  10    0.0967690071
   C  11    0.0230591808
   C  12    0.4046423107
   O  13   -0.4417880830
   C  14    0.1378299069
   O  15   -0.2261970649
   C  16    0.0437415187
   C  17    0.0437415187
   C  18    0.0437415187


BOND ANGLES
   2    1    6   C3   C3   C3    120.000
   1    2    3   C3   C3   C3    119.998
   2    3    4   C3   C3   C3    120.001
   2    3    7   C3   C3   C3     59.999
   2    3   11   C3   C3   C3    179.974
   4    3    7   C3   C3   C3    179.974
   4    3   11   C3   C3   C3     60.002
   7    3   11   C3   C3   C3    119.998
   3    4    5   C3   C3   N3    120.000
   4    5    6   C3   N3   C3    120.002
   1    6    5   C3   C3   N3    119.998
   3    7    8   C3   C3   C3    120.000
   7    8    9   C3   C3  Nam    119.889
   8    9   10   C3  Nam   C3    119.997
   8    9   12   C3  Nam   C2    119.445
  10    9   12   C3  Nam   C2    120.557
   9   10   11  Nam   C3   C3    120.113
   3   11   10   C3   C3   C3    120.002
   9   12   13  Nam   C2   O3    120.002
   9   12   15  Nam   C2   O2    119.999
  13   12   15   O3   C2   O2    119.999
  12   13   14   C2   O3   C3    120.002
  13   14   16   O3   C3   C3    157.659
  13   14   17   O3   C3   C3     79.269
  13   14   18   O3   C3   C3    119.998
  16   14   17   C3   C3   C3     78.389
  16   14   18   C3   C3   C3     82.343
  17   14   18   C3   C3   C3    160.733


TORSION ANGLES
   6    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3    7    179.974
   1    2    3   11    179.974
   2    3    4    5      0.026
   7    3    4    5    180.000
  11    3    4    5    179.974
   3    4    5    6      0.026
   4    5    6    1      0.026
   5    6    1    2      0.026
   2    3    7    8    179.974
   4    3    7    8    180.000
  11    3    7    8      0.026
   3    7    8    9      0.026
   7    8    9   10      0.026
   7    8    9   12    179.974
   8    9   10   11      0.026
  12    9   10   11    179.974
   9   10   11    3      0.026
  10   11    3    2      0.026
  10   11    3    4    179.974
  10   11    3    7      0.026
   8    9   12   13    179.974
   8    9   12   15      0.026
  10    9   12   13      0.026
  10    9   12   15    179.974
   9   12   13   14    179.974
  15   12   13   14      0.026
  12   13   14   16      0.026
  12   13   14   17      0.026
  12   13   14   18    179.974