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Sodium tert-butoxide
Sodium tert-butoxide ID: API-42641
CAS:865-48-5
Supplier:APIchem

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SMILES:[Na+].[O-]C(C)(C)C	ChemMol.com
FORMULA: C4H9NaO
MASS: 96.1034
EXACT MASS: 96.0551092
INTERATOMIC DISTANCES

             Na   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Na   1    0.0000 
   O   2    1.0001     0.0000 
   C   3    1.7321     1.0000     0.0000 
   C   4    2.6458     2.0000     1.0000     0.0000 
   C   5    2.3942     1.4142     1.0000     1.4142     0.0000 
   C   6    1.5060     1.4142     1.0000     1.4142     2.0000     0.0000 
   H   7    2.9083     2.0939     1.1766     0.6200     1.0698     1.9037 
   H   8    3.2380     2.6199     1.6199     0.6200     1.9037     1.9037 
   H   9    2.5121     2.0938     1.1766     0.6200     1.9037     1.0697 
   H  10    2.0631     1.0697     1.1766     1.9038     0.6201     2.0938 
   H  11    2.9036     1.9038     1.6200     1.9038     0.6201     2.6200 
   H  12    2.8243     1.9037     1.1766     1.0697     0.6200     2.0938 
   H  13    2.1242     1.9037     1.1766     1.0698     2.0939     0.6200 
   H  14    1.6789     1.9038     1.6200     1.9038     2.6200     0.6201 
   H  15    0.8901     1.0698     1.1766     1.9038     2.0939     0.6201 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8768     0.0000 
   H   9    1.2399     0.8768     0.0000 
   H  10    1.6640     2.4531     2.2910     0.0000 
   H  11    1.4143     2.2910     2.4531     0.8769     0.0000 
   H  12    0.5374     1.4142     1.6639     1.2400     0.8769     0.0000 
   H  13    1.6639     1.4142     0.5374     2.3532     2.6924     2.0000 
   H  14    2.4531     2.2910     1.4142     2.6924     3.2401     2.6923 
   H  15    2.2910     2.4531     1.6640     2.0000     2.6924     2.3532 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2400     0.8769     0.0000 



ATOMIC CHARGES
  Na   1    0.0000000000
   O   2   -1.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   H   7    0.0000000000
   H   8    0.0000000000
   H   9    0.0000000000
   H  10    0.0000000000
   H  11    0.0000000000
   H  12    0.0000000000
   H  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000


BOND ANGLES
   2    3    4   O-   C3   C3    179.974
   2    3    5   O-   C3   C3     90.000
   2    3    6   O-   C3   C3     90.000
   4    3    5   C3   C3   C3     90.000
   4    3    6   C3   C3   C3     90.000
   5    3    6   C3   C3   C3    179.974
   3    4    7   C3   C3   HC     90.001
   3    4    8   C3   C3   HC    179.974
   3    4    9   C3   C3   HC     89.999
   7    4    8   HC   C3   HC     90.000
   7    4    9   HC   C3   HC    179.974
   8    4    9   HC   C3   HC     90.000
   3    5   10   C3   C3   HC     89.996
   3    5   11   C3   C3   HC    179.974
   3    5   12   C3   C3   HC     89.999
  10    5   11   HC   C3   HC     90.000
  10    5   12   HC   C3   HC    179.974
  11    5   12   HC   C3   HC     90.005
   3    6   13   C3   C3   HC     90.001
   3    6   14   C3   C3   HC    179.974
   3    6   15   C3   C3   HC     90.004
  13    6   14   HC   C3   HC     89.995
  13    6   15   HC   C3   HC    179.974
  14    6   15   HC   C3   HC     90.000


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