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(2,8-Diaza-spiro[4.5]dec-2-yl)-(2-f
(2,8-Diaza-spiro[4.5]dec-2-yl)-(2-f
ID: BP-11707
Supplier:BroadPharm

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SMILES:C(=O)(N1CC2(CC1)CCNCC2)c1c(F)cccc1	
FORMULA: C15H19FN2O
MASS: 262.3226
EXACT MASS: 262.1481415
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6010     0.0000 
   C   3    0.6000     1.0398     0.0000 
   C   4    0.9324     0.6008     1.5081     0.0000 
   C   5    1.0399     1.5891     0.6011     1.9661     0.0000 
   O   6    0.6011     1.0417     1.0399     1.0274     1.2000     0.0000 
   C   7    1.1603     0.6000     1.4374     0.9726     2.0335     1.6417 
   C   8    1.4746     0.9724     2.0011     0.6026     2.5131     1.6297 
   N   9    2.5601     2.1461     3.1344     1.6289     3.5855     2.5131 
   C  10    1.5681     0.9692     1.9657     0.9708     2.5429     1.9122 
   F  11    1.1985     1.7995     1.0375     2.0106     0.5974     1.0377 
   C  12    1.0398     1.2000     0.6010     1.7807     1.0417     1.5891 
   C  13    2.1461     1.8383     2.7415     1.2546     3.1344     2.0011 
   C  14    2.5109     1.9994     3.0355     1.6067     3.5503     2.6047 
   C  15    1.5542     1.2447     2.1461     0.6550     2.5602     1.4746 
   C  16    2.0284     1.4723     2.5109     1.1985     3.0552     2.2258 
   C  17    1.5879     2.0797     1.0399     2.5200     0.6000     1.8000 
   C  18    1.5878     1.8000     1.0398     2.3782     1.2021     2.0797 
   C  19    1.8000     2.1636     1.2000     2.6915     1.0399     2.1636 

              C   7      C   8      N   9      C  10      F  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9724     0.0000 
   N   9    2.1461     1.2000     0.0000 
   C  10    0.5995     0.5992     1.6276     0.0000 
   F  11    2.3384     2.6046     3.5502     2.7652     0.0000 
   C  12    1.3416     2.1461     3.3385     1.9363     1.5869     0.0000 
   C  13    2.0011     1.0398     0.6010     1.6066     3.0355     3.0330 
   C  14    1.8378     1.0378     0.5975     1.2546     3.6147     3.1333 
   C  15    1.4746     0.6010     1.0398     1.1984     2.5109     2.4350 
   C  16    1.2440     0.5975     1.0378     0.6551     3.1869     2.5588 
   C  17    2.4362     3.0374     4.1480     2.9919     1.0377     1.2021 
   C  18    1.8974     2.7415     3.9364     2.4968     1.7995     0.6000 
   C  19    2.3804     3.1344     4.3040     2.9722     1.5863     1.0398 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0375     0.0000 
   C  15    0.6000     1.1985     0.0000 
   C  16    1.1985     0.6000     1.0375     0.0000 
   C  17    3.7168     4.0736     3.1344     3.5503     0.0000 
   C  18    3.6317     3.7159     3.0330     3.1333     1.0417     0.0000 
   C  19    3.9364     4.1466     3.3385     3.5839     0.6011     0.6010 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   C   1    0.2512028816
   N   2   -0.2760213877
   C   3    0.0809768941
   C   4    0.0937454393
   C   5    0.1444554799
   O   6   -0.2698277604
   C   7    0.0937645180
   C   8    0.0227494514
   N   9   -0.2180493488
   C  10    0.0232507142
   F  11   -0.2040200239
   C  12    0.0067770969
   C  13    0.0887528600
   C  14    0.0887528600
   C  15    0.0205517412
   C  16    0.0205517412
   C  17    0.0297879127
   C  18    0.0002906269
   C  19    0.0023083035


BOND ANGLES
   2    1    3  Nam   C2  Car    119.944
   2    1    6  Nam   C2   O2    120.118
   3    1    6  Car   C2   O2    119.939
   1    2    4   C2  Nam   C3    101.759
   1    2    7   C2  Nam   C3    150.056
   4    2    7   C3  Nam   C3    108.185
   1    3    5   C2  Car  Car    119.939
   1    3   12   C2  Car  Car    119.944
   5    3   12  Car  Car  Car    120.118
   2    4    8  Nam   C3   C3    107.816
   3    5   11  Car  Car    F    119.917
   3    5   17  Car  Car  Car    119.939
  11    5   17    F  Car  Car    120.145
   2    7   10  Nam   C3   C3    107.803
   4    8   15   C3   C3   C3     65.944
   4    8   16   C3   C3   C3    174.139
   4    8   10   C3   C3   C3    107.762
  15    8   16   C3   C3   C3    119.917
  10    8   15   C3   C3   C3    173.707
  10    8   16   C3   C3   C3     66.377
  13    9   14   C3   N3   C3    119.917
   7   10    8   C3   C3   C3    108.434
   3   12   18  Car  Car  Car    119.944
   9   13   15   N3   C3   C3    119.944
   9   14   16   N3   C3   C3    120.140
   8   15   13   C3   C3   C3    119.944
   8   16   14   C3   C3   C3    120.140
   5   17   19  Car  Car  Car    119.939
  12   18   19  Car  Car  Car    119.944
  17   19   18  Car  Car  Car    120.118


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