Sign In Join Free

Products Information

3-Methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione
3-Methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione
ID: BP-11626
Supplier:BroadPharm

Get a quote


SMILES:N1(C(=O)NC2(C1=O)CCNCC2)C	
FORMULA: C8H13N3O2
MASS: 183.2077
EXACT MASS: 183.1007767
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.6009     0.9727     0.0000 
   N   4    0.9693     0.5996     0.9708     0.0000 
   C   5    0.9685     0.9685     0.6001     0.5967     0.0000 
   O   6    1.0659     0.5967     1.5509     1.0673     1.5473     0.0000 
   O   7    1.0666     1.5501     0.5956     1.5484     1.0673     2.1061 
   N   8    2.1461     2.1461     1.6288     1.6275     1.2041     2.6881 
   C   9    1.4723     1.2440     1.1984     0.6550     0.5995     1.7135 
   C  10    1.2447     1.4746     0.6549     1.1984     0.6031     2.0710 
   C  11    0.6010     1.1096     1.0238     1.5658     1.5287     1.3762 
   C  12    1.8383     2.0011     1.2545     1.6065     1.0434     2.5882 
   C  13    1.9994     1.8378     1.6066     1.2545     1.0413     2.3121 

              O   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    1.7293     0.0000 
   C   9    1.6399     1.0378     0.0000 
   C  10    0.7115     1.0398     1.0375     0.0000 
   C  11    1.2243     2.6511     2.0650     1.6626     0.0000 
   C  12    1.1963     0.6010     1.1985     0.6000     2.2592     0.0000 
   C  13    1.9011     0.5975     0.6000     1.1985     2.5699     1.0375 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2098181008
   C   2    0.3294057449
   C   3    0.2504821271
   N   4   -0.1825945563
   C   5    0.1515482961
   O   6   -0.2503400317
   O   7   -0.2726443531
   N   8   -0.2179073606
   C   9    0.0477676997
   C  10    0.0477676997
   C  11    0.1245158520
   C  12    0.0909084915
   C  13    0.0909084915


BOND ANGLES
   2    1    3   C2  Nam   C2    108.182
   2    1   11   C2  Nam   C3    135.000
   3    1   11   C2  Nam   C3    116.818
   1    2    4  Nam   C2  Nam    107.800
   1    2    6  Nam   C2   O2    125.912
   4    2    6  Nam   C2   O2    126.288
   1    3    5  Nam   C2   C3    107.495
   1    3    7  Nam   C2   O2    126.106
   5    3    7   C3   C2   O2    126.400
   2    4    5   C2  Nam   C3    108.111
   3    5    9   C2   C3   C3    174.802
   3    5   10   C2   C3   C3     65.957
   3    5    4   C2   C3  Nam    108.412
   9    5   10   C3   C3   C3    119.240
   4    5    9  Nam   C3   C3     66.390
   4    5   10  Nam   C3   C3    174.369
  12    8   13   C3   N3   C3    119.917
   5    9   13   C3   C3   C3    120.479
   5   10   12   C3   C3   C3    120.281
   8   12   10   N3   C3   C3    119.944
   8   13    9   N3   C3   C3    120.140


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