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tert-butyl 2,6-diazaspiro[3.5]nonane-6-carboxylate
tert-butyl 2,6-diazaspiro[3.5]nonane-6-carboxylate
ID: Cs00319
CAS:885272-17-3
Supplier:Clousem

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SMILES:C1CN(CC2(C1)CNC2)C(=O)OC(C)(C)C	
FORMULA: C12H22N2O2
MASS: 226.3153
EXACT MASS: 226.1681280
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   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     3.0459     2.6379     1.5230     0.0000 
   C   7    4.1279     4.2612     3.3701     1.8543     1.5230     3.0199 
   N   8    4.6302     5.1999     4.6302     3.1999     2.1539     3.1998 
   C   9    3.3702     4.2613     4.1279     3.0199     1.5230     1.8543 
   O  10    5.2759     4.0295     2.6380     3.0461     4.5690     5.4913 
   C  11    6.6386     5.2759     4.0295     4.5690     6.0920     6.9793 
   C  12    8.0589     6.6386     5.4913     6.0920     7.6150     8.4797 
   C  13    6.1932     4.7031     3.8130     4.8162     6.2795     6.8565 
   C  14    7.3774     6.1797     4.7512     4.8162     6.2795     7.4194 
   C  15    4.0295     2.6380     1.5230     2.6379     4.0294     4.5690 
   O  16    4.5690     3.0460     2.6379     4.0294     5.2758     5.4912 

              C   7      N   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.5230     0.0000 
   C   9    2.1538     1.5230     0.0000 
   O  10    4.4265     5.9462     6.0530     0.0000 
   C  11    5.8847     7.4077     7.5734     1.5230     0.0000 
   C  12    7.3692     8.8899     9.0947     3.0459     1.5230     0.0000 
   C  13    6.4366     7.9294     7.8024     2.1538     1.5230     2.1538 
   C  14    5.6981     7.1772     7.6469     2.1538     1.5230     2.1538 
   C  15    4.4085     5.8307     5.5496     1.5230     2.6379     4.0294 
   O  16    5.8577     7.2219     6.7584     2.6379     3.0460     4.0294 

              C  13      C  14      C  15      O  16
              --------------------------------------------
   C  13    0.0000 
   C  14    3.0459     0.0000 
   C  15    2.2936     3.6463     0.0000 
   O  16    1.8875     4.4308     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0217662465
   C   2    0.0967255155
   N   3   -0.2459310333
   C   4    0.0994007239
   C   5    0.0506552642
   C   6    0.0062003979
   C   7    0.0916565201
   N   8   -0.2178428505
   C   9    0.0916565201
   O  10   -0.4417880799
   C  11    0.1378299069
   C  12    0.0437415187
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.4046433727
   O  16   -0.2261970601


BOND ANGLES
   2    1    6   C3   C3   C3    119.999
   1    2    3   C3   C3  Nam    119.999
   2    3    4   C3  Nam   C3    120.001
   2    3   15   C3  Nam   C2    120.002
   4    3   15   C3  Nam   C2    119.997
   3    4    5  Nam   C3   C3    119.999
   4    5    6   C3   C3   C3    119.999
   4    5    7   C3   C3   C3     75.001
   4    5    9   C3   C3   C3    164.999
   6    5    7   C3   C3   C3    165.000
   6    5    9   C3   C3   C3     75.002
   7    5    9   C3   C3   C3     89.998
   1    6    5   C3   C3   C3    120.001
   5    7    8   C3   C3   N3     90.002
   7    8    9   C3   N3   C3     89.998
   5    9    8   C3   C3   N3     90.002
  11   10   15   C3   O3   C2    120.003
  10   11   12   O3   C3   C3    179.974
  10   11   13   O3   C3   C3     90.000
  10   11   14   O3   C3   C3     90.000
  12   11   13   C3   C3   C3     90.000
  12   11   14   C3   C3   C3     90.000
  13   11   14   C3   C3   C3    179.974
   3   15   16  Nam   C2   O2    119.997
   3   15   10  Nam   C2   O3    120.006
  10   15   16   O3   C2   O2    119.998


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