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tert-butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
tert-butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
ID: Cs00328
CAS:1194376-44-7
Supplier:Clousem

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SMILES:C1N(CC2(C1)CCNC2=O)C(=O)OC(C)(C)C	
FORMULA: C12H20N2O3
MASS: 240.2988
EXACT MASS: 240.1473925
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.5231     0.0000 
   C   3    2.4643     1.5229     0.0000 
   C   4    2.4642     2.4642     1.5231     0.0000 
   C   5    1.5229     2.4643     2.4643     1.5230     0.0000 
   C   6    3.8032     3.2728     1.7904     1.5231     3.0460     0.0000 
   C   7    4.9286     4.6873     3.2729     2.4643     3.8033     1.5230 
   N   8    4.6873     4.9286     3.8033     2.4643     3.2729     2.4643 
   C   9    3.2728     3.8032     3.0460     1.5230     1.7904     2.4643 
   O  10    3.3684     4.4172     4.1294     2.7140     1.9596     3.9410 
   O  11    4.0766     2.6379     3.1809     4.6616     5.0743     4.7278 
   C  12    5.3501     4.0295     4.7035     6.1764     6.4935     6.2264 
   C  13    6.7281     5.4912     6.2262     7.6944     7.9511     7.7346 
   C  14    4.8138     3.8130     4.9171     6.2265     6.1764     6.6355 
   C  15    6.2220     4.7511     4.9705     6.4935     7.1289     6.1763 
   C  16    2.7140     1.5230     2.7140     3.9409     3.9409     4.4911 
   O  17    3.1809     2.6379     4.0766     5.0743     4.6616     5.8655 

              C   7      N   8      C   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.5231     0.0000 
   C   9    2.4643     1.5230     0.0000 
   O  10    3.9410     2.7140     1.5230     0.0000 
   O  11    6.2441     6.9749     6.1630     7.0001     0.0000 
   C  12    7.7341     8.4973     7.6688     8.4417     1.5230     0.0000 
   C  13    9.2349    10.0199     9.1803     9.9078     3.0460     1.5230 
   C  14    8.1554     8.6686     7.6157     8.1265     2.1538     1.5230 
   C  15    7.6001     8.5966     8.0163     9.0070     2.1538     1.5230 
   C  16    5.9868     6.3944     5.3231     5.9005     1.5230     2.6379 
   O  17    7.3160     7.5288     6.2862     6.5493     2.6379     3.0460 

              C  13      C  14      C  15      C  16      O  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    2.1538     0.0000 
   C  15    2.1538     3.0460     0.0000 
   C  16    4.0295     2.2936     3.6463     0.0000 
   O  17    4.0295     1.8875     4.4308     1.5229     0.0000 



ATOMIC CHARGES
   C   1    0.0972752856
   N   2   -0.2455276706
   C   3    0.1053884919
   C   4    0.0921377496
   C   5    0.0320141218
   C   6    0.0338236034
   C   7    0.1156806556
   N   8   -0.2053850265
   C   9    0.2421779720
   O  10   -0.2733082637
   O  11   -0.4417879940
   C  12    0.1378299074
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.0437415187
   C  16    0.4046535340
   O  17   -0.2261969225


BOND ANGLES
   2    1    5  Nam   C3   C3    108.000
   1    2    3   C3  Nam   C3    108.000
   1    2   16   C3  Nam   C2    125.996
   3    2   16   C3  Nam   C2    126.005
   2    3    4  Nam   C3   C3    107.999
   3    4    5   C3   C3   C3    108.001
   3    4    6   C3   C3   C3     71.997
   3    4    9   C3   C3   C2    179.974
   5    4    6   C3   C3   C3    179.974
   5    4    9   C3   C3   C2     72.002
   6    4    9   C3   C3   C2    108.001
   1    5    4   C3   C3   C3    108.001
   4    6    7   C3   C3   C3    108.000
   6    7    8   C3   C3  Nam    107.998
   7    8    9   C3  Nam   C2    107.998
   4    9    8   C3   C2  Nam    108.002
   8    9   10  Nam   C2   O2    125.997
   4    9   10   C3   C2   O2    126.001
  12   11   16   C3   O3   C2    120.001
  11   12   13   O3   C3   C3    179.974
  11   12   14   O3   C3   C3     90.000
  11   12   15   O3   C3   C3     90.000
  13   12   14   C3   C3   C3     90.000
  13   12   15   C3   C3   C3     90.000
  14   12   15   C3   C3   C3    179.974
   2   16   17  Nam   C2   O2    120.006
   2   16   11  Nam   C2   O3    119.996
  11   16   17   O3   C2   O2    119.998


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


CHIRAL ATOMS
  12   11   16   17      0.026