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1,3,7-Triaza-spiro[4.5]decane-2,4-dione
1,3,7-Triaza-spiro[4.5]decane-2,4-dione
ID: BP-11760
CAS:78222-09-0
Supplier:BroadPharm

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SMILES:N1C(=O)NC2(C1=O)CNCCC2	
FORMULA: C7H11N3O2
MASS: 169.1811
EXACT MASS: 169.0851266
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.9708     0.0000 
   C   3    0.6011     0.9707     0.0000 
   C   4    0.5989     0.6024     0.9719     0.0000 
   N   5    0.9718     0.5992     0.6007     0.9727     0.0000 
   O   6    1.0683     1.5491     0.5969     1.5506     1.0666     0.0000 
   O   7    1.0663     1.0665     1.5501     0.5957     1.5494     2.1074 
   N   8    1.8366     1.0398     1.9995     1.2548     1.6056     2.5865 
   C   9    1.2420     0.6000     1.4722     0.6542     1.1975     2.0687 
   C  10    1.4742     0.6010     1.2442     1.2019     0.6541     1.7116 
   C  11    2.1425     1.1985     2.1430     1.6265     1.6249     2.6845 
   C  12    1.9975     1.0375     1.8350     1.6064     1.2510     2.3079 

              O   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    1.1938     0.0000 
   C   9    0.7089     0.6010     0.0000 
   C  10    1.6417     1.2000     1.0398     0.0000 
   C  11    1.7237     0.5975     1.0375     1.0378     0.0000 
   C  12    1.8990     1.0378     1.1985     0.5975     0.6000     0.0000 




ATOMIC CHARGES
   N   1   -0.1247823457
   C   2    0.1662506801
   C   3    0.3462700413
   C   4    0.2683726735
   N   5   -0.1799285403
   O   6   -0.2487216505
   O   7   -0.2710256345
   N   8   -0.2157845714
   C   9    0.1175187707
   C  10    0.0319263099
   C  11    0.0888455930
   C  12    0.0210586738


BOND ANGLES
   3    1    4   C2  Nam   C2    108.161
   4    2    9   C2   C3   C3     65.920
   4    2   10   C2   C3   C3    174.137
   4    2    5   C2   C3  Nam    108.093
   9    2   10   C3   C3   C3    119.944
   5    2    9  Nam   C3   C3    174.013
   5    2   10  Nam   C3   C3     66.044
   1    3    5  Nam   C2  Nam    107.927
   1    3    6  Nam   C2   O2    126.176
   5    3    6  Nam   C2   O2    125.897
   1    4    2  Nam   C2   C3    107.820
   2    4    7   C3   C2   O2    125.790
   1    4    7  Nam   C2   O2    126.390
   2    5    3   C3  Nam   C2    107.999
   9    8   11   C3   N3   C3    119.917
   2    9    8   C3   C3   N3    119.944
   2   10   12   C3   C3   C3    119.917
   8   11   12   N3   C3   C3    120.140
  10   12   11   C3   C3   C3    120.140


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


CHIRAL ATOMS
   9    8   11   12      0.026