Sign In Join Free

Products Information

1,3-Dimethyl-1,3,8-triaza-spiro[4.5-]decane-2,4-dione
1,3-Dimethyl-1,3,8-triaza-spiro[4.5-]decane-2,4-dione
ID: BP-11844
Supplier:BroadPharm

Get a quote


SMILES:N1(C(=O)N(C2(C1=O)CCNCC2)C)C	
FORMULA: C9H15N3O2
MASS: 197.2343
EXACT MASS: 197.1164267
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    0.6008     0.9726     0.0000 
   N   4    0.9692     0.5995     0.9708     0.0000 
   C   5    0.9724     0.9724     0.6026     0.5992     0.0000 
   O   6    1.1081     0.5981     1.5664     1.0207     1.5287     0.0000 
   O   7    0.9726     1.5003     0.6000     1.5708     1.1437     2.0661 
   N   8    2.1461     2.1461     1.6289     1.6276     1.2000     2.6471 
   C   9    1.4722     1.2440     1.1984     0.6550     0.5974     1.6590 
   C  10    1.2448     1.4746     0.6551     1.1985     0.6011     2.0643 
   C  11    0.5993     1.0697     1.0673     1.5509     1.5529     1.3806 
   C  12    1.5681     1.1198     1.5215     0.6010     1.0056     1.3215 
   C  13    1.9994     1.8378     1.6066     1.2546     1.0377     2.2555 
   C  14    1.8383     2.0011     1.2546     1.6067     1.0399     2.5683 

              O   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    1.8969     0.0000 
   C   9    1.7324     1.0377     0.0000 
   C  10    0.8655     1.0399     1.0375     0.0000 
   C  11    1.1398     2.6892     2.0711     1.7136     0.0000 
   C  12    2.1130     1.6066     0.6026     1.5656     2.1410     0.0000 
   C  13    2.0362     0.5974     0.6000     1.1985     2.5883     1.0715 
   C  14    1.3762     0.6011     1.1985     0.6000     2.3122     1.7989 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.0375     0.0000 



ATOMIC CHARGES
   N   1   -0.2110538112
   C   2    0.3133479029
   C   3    0.2487411733
   N   4   -0.2571100995
   C   5    0.1336192444
   O   6   -0.2519192802
   O   7   -0.2727085026
   N   8   -0.2179090025
   C   9    0.0460055465
   C  10    0.0460055465
   C  11    0.1244677048
   C  12    0.1168186170
   C  13    0.0908474802
   C  14    0.0908474802


BOND ANGLES
   2    1    3   C2  Nam   C2    108.185
   2    1   11   C2  Nam   C3    126.231
   3    1   11   C2  Nam   C3    125.584
   1    2    4  Nam   C2  Nam    107.803
   1    2    6  Nam   C2   O2    135.278
   4    2    6  Nam   C2   O2    116.919
   1    3    5  Nam   C2   C3    107.816
   1    3    7  Nam   C2   O2    108.185
   5    3    7   C3   C2   O2    143.999
   2    4   12   C2  Nam   C3    137.747
   2    4    5   C2  Nam   C3    108.434
   5    4   12   C3  Nam   C3    113.820
   3    5    9   C2   C3   C3    174.144
   3    5   10   C2   C3   C3     65.940
   3    5    4   C2   C3  Nam    107.762
   9    5   10   C3   C3   C3    119.917
   4    5    9  Nam   C3   C3     66.381
   4    5   10  Nam   C3   C3    173.702
  13    8   14   C3   N3   C3    119.917
   5    9   13   C3   C3   C3    120.145
   5   10   14   C3   C3   C3    119.939
   8   13    9   N3   C3   C3    120.145
   8   14   10   N3   C3   C3    119.939


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
  12    4    2    1    179.974
  12    4    2    6      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   14   10      0.026
  13    9    5    3    179.974
  13    9    5   10      0.026
  13    9    5    4    179.974
  14   10    5    3    179.974
  14   10    5    9      0.026
  14   10    5    4    179.974
   8   13    9    5      0.026
   8   14   10    5      0.026
   2    4    5    3      0.026
   2    4    5    9    179.974
   2    4    5   10      0.026
  12    4    5    3    179.974
  12    4    5    9      0.026
  12    4    5   10    179.974
   9   13    8   14      0.026