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1-(2,7-Diaza-spiro[3.5]non-7-yl)-2-
1-(2,7-Diaza-spiro[3.5]non-7-yl)-2-
ID: BP-11983
Supplier:BroadPharm

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SMILES:N1(C(=O)Cc2ccc(cc2)OC)CCC2(CC1)CNC2	
FORMULA: C16H22N2O2
MASS: 274.3581
EXACT MASS: 274.1681280
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.5958     0.0000 
   C   3    1.2000     1.7958     0.0000 
   N   4    2.0500     2.6458     0.8500     0.0000 
   C   5    1.1057     0.6010     2.2611     3.1001     0.0000 
   O   6    0.9915     0.5958     2.0984     2.9271     0.9945     0.0000 
   C   7    0.5975     1.0341     1.0378     1.8247     1.6221     1.1255 
   C   8    0.6010     1.0362     1.0398     1.8259     1.3243     1.5531 
   C   9    1.0378     1.5825     0.5975     1.2607     2.1392     1.7253 
   C  10    1.0398     1.5839     0.6010     1.2624     1.9232     2.0303 
   C  11    1.6756     1.1096     2.8526     3.6953     0.6000     1.2585 
   C  12    1.6786     2.2603     0.5981     0.5981     2.7777     2.4534 
   C  13    1.6797     2.2611     0.6010     0.6010     2.6458     2.6369 
   C  14    2.8526     2.2652     4.0432     4.8893     1.8000     2.2212 
   C  15    1.9230     1.3282     3.1221     3.9719     1.0378     1.1878 
   C  16    2.1410     1.6279     3.2610     4.0819     1.0398     1.8542 
   C  17    2.6924     2.1448     3.8391     4.6676     1.5878     2.2612 
   C  18    2.5225     1.9272     3.7219     4.5717     1.5865     1.7566 
   O  19    3.4471     2.8568     4.6403     5.4873     2.4000     2.7729 
   C  20    3.7177     3.1221     4.9175     5.7673     2.7449     2.9277 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0375     0.0000 
   C   9    0.6000     1.1985     0.0000 
   C  10    1.1985     0.6000     1.0375     0.0000 
   C  11    2.1392     1.9232     2.6910     2.5226     0.0000 
   C  12    1.3285     1.6255     0.7313     1.1884     3.3542     0.0000 
   C  13    1.6256     1.3285     1.1885     0.7313     3.2458     0.8458 
   C  14    3.2598     3.1223     3.8381     3.7220     1.2000     4.5255 
   C  15    2.2611     2.3037     2.8526     2.8865     0.5975     3.5610 
   C  16    2.6591     2.2611     3.1774     2.8526     0.6010     3.8000 
   C  17    3.1774     2.8526     3.7203     3.4471     1.0398     4.3652 
   C  18    2.8526     2.8865     3.4471     3.4752     1.0378     4.1588 
   O  19    3.8381     3.7220     4.4222     4.3219     1.8000     5.1162 
   C  20    4.0390     4.0630     4.6361     4.6571     2.1586     5.3517 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.4458     0.0000 
   C  15    3.5832     1.0378     0.0000 
   C  16    3.5838     1.0398     1.0375     0.0000 
   C  17    4.1784     0.6010     1.1985     0.6000     0.0000 
   C  18    4.1779     0.5975     0.6000     1.1985     1.0375     0.0000 
   O  19    5.0458     0.6000     1.5865     1.5878     1.0398     1.0378 
   C  20    5.3665     1.0341     1.7958     2.0740     1.5831     1.1958 

              O  19      C  20
              ----------------------
   O  19    0.0000 
   C  20    0.5954     0.0000 



ATOMIC CHARGES
   N   1   -0.2792635797
   C   2    0.2300666405
   C   3    0.0355142388
   N   4   -0.2179553314
   C   5    0.1115541477
   O   6   -0.2745027749
   C   7    0.0934970512
   C   8    0.0934970512
   C   9    0.0243365014
   C  10    0.0243365014
   C  11   -0.0128843063
   C  12    0.0901072915
   C  13    0.0901072915
   C  14    0.1387141963
   C  15   -0.0006720636
   C  16   -0.0006720636
   C  17    0.0365899248
   C  18    0.0365899248
   O  19   -0.4714272110
   C  20    0.2524665693


BOND ANGLES
   2    1    7   C2  Nam   C3    120.140
   2    1    8   C2  Nam   C3    119.944
   7    1    8   C3  Nam   C3    119.917
   1    2    5  Nam   C2   C3    135.000
   1    2    6  Nam   C2   O2    112.623
   5    2    6   C3   C2   O2    112.377
   9    3   12   C3   C3   C3     75.424
   9    3   13   C3   C3   C3    165.140
   9    3   10   C3   C3   C3    119.917
  12    3   13   C3   C3   C3     89.715
  10    3   12   C3   C3   C3    164.659
  10    3   13   C3   C3   C3     74.944
  12    4   13   C3   N3   C3     89.715
   2    5   11   C2   C3  Car    135.000
   1    7    9  Nam   C3   C3    120.140
   1    8   10  Nam   C3   C3    119.944
   3    9    7   C3   C3   C3    120.140
   3   10    8   C3   C3   C3    119.944
   5   11   15   C3  Car  Car    120.140
   5   11   16   C3  Car  Car    119.944
  15   11   16  Car  Car  Car    119.917
   3   12    4   C3   C3   N3     90.569
   3   13    4   C3   C3   N3     90.000
  18   14   19  Car  Car   O3    120.140
  17   14   18  Car  Car  Car    119.917
  17   14   19  Car  Car   O3    119.944
  11   15   18  Car  Car  Car    120.140
  11   16   17  Car  Car  Car    119.944
  14   17   16  Car  Car  Car    119.944
  14   18   15  Car  Car  Car    120.140
  14   19   20  Car   O3   C3    119.790


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