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DI-TERT-BUTYL IMINODICARBOXYLATE
DI-TERT-BUTYL IMINODICARBOXYLATE
ID: BP-10429
CAS:51779-32-9
Supplier:BroadPharm

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SMILES:N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	
FORMULA: C10H19NO4
MASS: 217.2622
EXACT MASS: 217.1314081
INTERATOMIC DISTANCES

              N   1      C   2      C   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.1409     0.0000 
   C   3    1.1767     2.0013     0.0000 
   O   4    1.9679     1.1392     3.0425     0.0000 
   O   5    2.0074     2.2958     1.1535     3.4350     0.0000 
   O   6    1.9639     1.1353     2.2743     1.9836     1.9548     0.0000 
   O   7    2.0127     3.0533     1.1620     3.9805     2.0279     3.4361 
   C   8    3.0058     1.9659     3.9672     1.1373     4.1122     2.2899 
   C   9    3.0317     3.4184     1.9623     4.5576     1.1225     2.9842 
   C  10    3.5244     2.7015     4.6267     1.5863     4.9811     3.3055 
   C  11    4.0683     2.9777     4.9578     2.2397     4.9464     3.0117 
   C  12    2.8569     1.7184     3.5434     1.6189     3.3871     1.4353 
   C  13    4.0797     4.5084     2.9561     5.6476     2.2126     4.0283 
   C  14    2.8757     3.6018     1.7000     4.7002     1.5831     3.5089 
   C  15    3.5339     3.5772     2.6810     4.6742     1.5544     2.8147 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    4.9969     0.0000 
   C   9    2.3201     5.2092     0.0000 
   C  10    5.5280     1.1244     6.1005     0.0000 
   C  11    6.0309     1.1025     5.9959     1.5715     0.0000 
   C  12    4.6751     1.1372     4.4147     2.2616     1.5895     0.0000 
   C  13    3.0144     6.2808     1.0901     7.1875     7.0326     5.4444 
   C  14    1.4689     5.5368     1.1026     6.2858     6.4483     4.9237 
   C  15    3.3105     5.1026     1.0901     6.1095     5.7241     4.1441 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.5511     0.0000 
   C  15    1.5416     2.1926     0.0000 



ATOMIC CHARGES
   N   1   -0.0699470203
   C   2    0.4303038744
   C   3    0.4303038744
   O   4   -0.4404488748
   O   5   -0.4404488748
   O   6   -0.2239982452
   O   7   -0.2239982452
   C   8    0.1378897599
   C   9    0.1378897599
   C  10    0.0437423319
   C  11    0.0437423319
   C  12    0.0437423319
   C  13    0.0437423319
   C  14    0.0437423319
   C  15    0.0437423319


BOND ANGLES


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


CHIRAL ATOMS
   C     8 is chiral: counterclockwise
   C     9 is chiral: counterclockwise