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(3,9-Diaza-spiro[5.5]undec-3-yl)-(2
(3,9-Diaza-spiro[5.5]undec-3-yl)-(2
ID: BP-11625
Supplier:BroadPharm

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SMILES:C(=O)(c1c(F)cccc1)N1CCC2(CC1)CCNCC2	
FORMULA: C16H21FN2O
MASS: 276.3491
EXACT MASS: 276.1637915
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5974     0.0000 
   N   3    0.6000     1.0377     0.0000 
   C   4    1.0377     0.6000     1.5865     0.0000 
   O   5    0.6011     1.0375     1.0399     1.1985     0.0000 
   C   6    1.0399     1.5863     0.6011     2.0776     1.2000     0.0000 
   C   7    1.0377     1.2000     0.5974     1.8000     1.5863     1.0375 
   N   8    3.0000     3.3402     2.4000     3.9341     3.3409     2.1636 
   C   9    1.8000     2.1626     1.2000     2.7490     2.1636     1.0399 
   C  10    1.5879     2.0776     1.0399     2.6147     1.8000     0.6000 
   C  11    1.5865     1.8000     1.0377     2.4000     2.0776     1.1985 
   F  12    1.2000     1.0377     1.8000     0.5974     1.0399     2.1636 
   C  13    1.0375     0.6011     1.1985     1.0399     1.5870     1.7996 
   C  14    2.7490     3.0000     2.1626     3.6000     3.1743     2.0776 
   C  15    2.7498     3.1743     2.1636     3.7465     3.0000     1.8000 
   C  16    2.1626     2.4000     1.5865     3.0000     2.6147     1.5863 
   C  17    2.1636     2.6147     1.5879     3.1743     2.4000     1.2000 
   C  18    1.5863     1.0399     2.0776     0.6011     1.7996     2.6151 
   C  19    1.5828     1.0375     1.7959     1.1985     2.0750     2.3970 
   C  20    1.7959     1.1985     2.1599     1.0375     2.1600     2.7469 

              C   7      N   8      C   9      C  10      C  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    2.1626     0.0000 
   C   9    1.0377     1.2000     0.0000 
   C  10    1.1985     1.5879     0.6011     0.0000 
   C  11    0.6000     1.5865     0.5974     1.0375     0.0000 
   F  12    2.1626     4.2000     3.0000     2.7498     2.7490     0.0000 
   C  13    1.0399     3.1743     2.0776     2.1630     1.5879     1.5863 
   C  14    1.8000     0.5974     1.0377     1.5863     1.2000     3.9341 
   C  15    2.0776     0.6011     1.0399     1.2000     1.5863     3.9346 
   C  16    1.2000     1.0377     0.5974     1.1985     0.6000     3.3402 
   C  17    1.5863     1.0399     0.6011     0.6000     1.1985     3.3409 
   C  18    2.1636     4.3262     3.1743     3.1175     2.7498     1.0375 
   C  19    1.5863     3.6476     2.6125     2.7469     2.0776     1.7959 
   C  20    2.0776     4.1982     3.1153     3.1726     2.6147     1.5828 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.7498     0.0000 
   C  15    3.1175     1.0375     0.0000 
   C  16    2.1636     0.6000     1.1985     0.0000 
   C  17    2.6151     1.1985     0.6000     1.0375     0.0000 
   C  18    1.2000     3.9346     4.1998     3.3409     3.6495     0.0000 
   C  19    0.5974     3.1743     3.6477     2.6147     3.1726     1.0377 
   C  20    1.0377     3.7465     4.1552     3.1743     3.6477     0.5974 

              C  19      C  20
              ----------------------
   C  19    0.0000 
   C  20    0.6000     0.0000 



ATOMIC CHARGES
   C   1    0.2512028772
   C   2    0.0809768941
   N   3   -0.2760226036
   C   4    0.1444554799
   O   5   -0.2698277604
   C   6    0.0937094820
   C   7    0.0937094820
   N   8   -0.2180508332
   C   9    0.0060674626
   C  10    0.0216595073
   C  11    0.0216595073
   F  12   -0.2040200239
   C  13    0.0067770969
   C  14    0.0886978788
   C  15    0.0886978788
   C  16    0.0189604155
   C  17    0.0189604155
   C  18    0.0297879127
   C  19    0.0002906269
   C  20    0.0023083035


BOND ANGLES
   2    1    3  Car   C2  Nam    120.145
   2    1    5  Car   C2   O2    119.917
   3    1    5  Nam   C2   O2    119.939
   1    2    4   C2  Car  Car    120.145
   1    2   13   C2  Car  Car    119.917
   4    2   13  Car  Car  Car    119.939
   1    3    6   C2  Nam   C3    119.939
   1    3    7   C2  Nam   C3    120.145
   6    3    7   C3  Nam   C3    119.917
   2    4   12  Car  Car    F    120.145
   2    4   18  Car  Car  Car    119.939
  12    4   18    F  Car  Car    119.917
   3    6   10  Nam   C3   C3    119.939
   3    7   11  Nam   C3   C3    120.145
  14    8   15   C3   N3   C3    119.917
  11    9   16   C3   C3   C3     60.289
  11    9   17   C3   C3   C3    179.794
  10    9   11   C3   C3   C3    119.917
  16    9   17   C3   C3   C3    119.917
  10    9   16   C3   C3   C3    179.794
  10    9   17   C3   C3   C3     59.878
   6   10    9   C3   C3   C3    119.939
   7   11    9   C3   C3   C3    120.145
   2   13   19  Car  Car  Car    119.917
   8   14   16   N3   C3   C3    120.145
   8   15   17   N3   C3   C3    119.939
   9   16   14   C3   C3   C3    120.145
   9   17   15   C3   C3   C3    119.939
   4   18   20  Car  Car  Car    119.917
  13   19   20  Car  Car  Car    120.145
  18   20   19  Car  Car  Car    120.145


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    5      0.026
  13    2    1    3      0.026
  13    2    1    5    179.974
   6    3    1    2    179.974
   6    3    1    5      0.026
   7    3    1    2      0.026
   7    3    1    5    179.974
  12    4    2    1      0.026
  12    4    2   13    179.974
  18    4    2    1    179.974
  18    4    2   13      0.026
  10    6    3    1    179.974
  10    6    3    7      0.026
  11    7    3    1    179.974
  11    7    3    6      0.026
  15    8   14   16      0.026
  16    9   11    7    179.974
  17    9   11    7      0.026
  10    9   11    7      0.026
   9   10    6    3      0.026
   9   11    7    3      0.026
  19   13    2    1    179.974
  19   13    2    4      0.026
   8   14   16    9      0.026
   8   15   17    9      0.026
  14   16    9   11    179.974
  14   16    9   17      0.026
  14   16    9   10      0.026
  15   17    9   11    179.974
  15   17    9   16      0.026
  15   17    9   10    179.974
  20   18    4    2      0.026
  20   18    4   12    179.974
  20   19   13    2      0.026
  18   20   19   13      0.026
  11    9   10    6      0.026
  16    9   10    6    179.974
  17    9   10    6    179.974
   4   18   20   19      0.026
  14    8   15   17      0.026