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3-Methyl-1,3,7-triaza-spiro[4.5]decane-2,4-dione
3-Methyl-1,3,7-triaza-spiro[4.5]decane-2,4-dione
ID: BP-11671
Supplier:BroadPharm

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SMILES:N1(C(=O)NC2(C1=O)CNCCC2)C	
FORMULA: C8H13N3O2
MASS: 183.2077
EXACT MASS: 183.1007767
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.5995     0.9692     0.0000 
   C   4    0.9724     0.9724     0.5992     0.0000 
   N   5    0.9726     0.6008     0.9708     0.6026     0.0000 
   O   6    1.0696     0.5992     1.5508     1.5528     1.0672     0.0000 
   O   7    1.0665     1.5500     0.5995     1.0678     1.5525     2.1094 
   N   8    1.8378     1.9994     1.2546     1.0377     1.6066     2.5882 
   C   9    1.2440     1.4722     0.6550     0.5974     1.1984     2.0710 
   C  10    0.5974     1.1562     0.9324     1.4722     1.5681     1.4822 
   C  11    1.4746     1.2448     1.1985     0.6011     0.6551     1.7135 
   C  12    2.1461     2.1461     1.6276     1.2000     1.6289     2.6891 
   C  13    2.0011     1.8383     1.6067     1.0399     1.2546     2.3121 

              O   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    1.1981     0.0000 
   C   9    0.7145     0.6000     0.0000 
   C  10    1.0806     2.1461     1.5542     0.0000 
   C  11    1.6439     1.1985     1.0375     2.0284     0.0000 
   C  12    1.7292     0.5974     1.0377     2.5588     1.0399     0.0000 
   C  13    1.9045     1.0375     1.1985     2.5109     0.6000     0.6011 

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



ATOMIC CHARGES
   N   1   -0.2097790161
   C   2    0.3294477745
   C   3    0.2517992790
   C   4    0.1647310816
   N   5   -0.1812343902
   O   6   -0.2503394313
   O   7   -0.2725944516
   N   8   -0.2157853242
   C   9    0.1174635032
   C  10    0.1245164510
   C  11    0.0318709919
   C  12    0.0888455866
   C  13    0.0210579456


BOND ANGLES
   2    1    3   C2  Nam   C2    107.803
   2    1   10   C2  Nam   C3    149.855
   3    1   10   C2  Nam   C3    102.341
   1    2    5  Nam   C2  Nam    108.185
   1    2    6  Nam   C2   O2    126.237
   5    2    6  Nam   C2   O2    125.578
   1    3    4  Nam   C2   C3    108.434
   1    3    7  Nam   C2   O2    125.616
   4    3    7   C3   C2   O2    125.951
   3    4    9   C2   C3   C3     66.381
   3    4   11   C2   C3   C3    173.702
   3    4    5   C2   C3  Nam    107.762
   9    4   11   C3   C3   C3    119.917
   5    4    9  Nam   C3   C3    174.144
   5    4   11  Nam   C3   C3     65.940
   2    5    4   C2  Nam   C3    107.816
   9    8   12   C3   N3   C3    120.145
   4    9    8   C3   C3   N3    120.145
   4   11   13   C3   C3   C3    119.939
   8   12   13   N3   C3   C3    119.917
  11   13   12   C3   C3   C3    119.939


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


CHIRAL ATOMS
   9    8   12   13      0.026