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4-(5-bromopyridin-2-yl)morpholine
4-(5-bromopyridin-2-yl)morpholine
ID: BP-11796
CAS:200064-11-5
Supplier:BroadPharm

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SMILES:c1(N2CCOCC2)ncc(cc1)Br	
FORMULA: C9H11BrN2O
MASS: 243.1004
EXACT MASS: 242.0054750
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.5975     0.0000 
   N   3    0.6010     1.0375     0.0000 
   C   4    0.6000     1.0378     1.0398     0.0000 
   O   5    1.7996     1.2021     2.1640     2.1630     0.0000 
   C   6    1.0375     1.5829     0.5975     1.1985     2.7475     0.0000 
   C   7    1.1985     1.7960     1.0378     1.0375     2.9981     0.6000 
   C   8    1.0398     1.5863     1.2000     0.6010     2.7501     1.0378 
  Br   9    1.7995     2.3970     1.5863     1.5869     3.5991     1.0398 
   C  10    1.0375     0.6010     1.5869     1.1985     1.0399     2.0750 
   C  11    1.0378     0.6000     1.1985     1.5865     1.0417     1.7960 
   C  12    1.5863     1.0398     1.7995     2.0776     0.6011     2.3970 
   C  13    1.5870     1.0417     2.0792     1.7996     0.6000     2.6132 

              C   7      C   8     Br   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5975     0.0000 
  Br   9    0.6010     1.0375     0.0000 
   C  10    2.1600     1.7995     2.7474     0.0000 
   C  11    2.1600     2.0776     2.7469     1.0398     0.0000 
   C  12    2.7469     2.6150     3.3389     1.2000     0.6010     0.0000 
   C  13    2.7475     2.4006     3.3397     0.6011     1.2021     1.0399 

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



ATOMIC CHARGES
   C   1    0.1318696150
   N   2   -0.2880921679
   N   3   -0.2286521509
   C   4    0.0348348608
   O   5   -0.3501330002
   C   6    0.1069385555
   C   7    0.0538041475
   C   8    0.0111233500
  Br   9   -0.0473807758
   C  10    0.1242377954
   C  11    0.1242377954
   C  12    0.1636059876
   C  13    0.1636059876


BOND ANGLES
   2    1    3  Npl  Car  Nar    119.917
   2    1    4  Npl  Car  Car    120.140
   3    1    4  Nar  Car  Car    119.944
   1    2   10  Car  Npl   C3    119.917
   1    2   11  Car  Npl   C3    120.140
  10    2   11   C3  Npl   C3    119.944
   1    3    6  Car  Nar  Car    119.917
   1    4    8  Car  Car  Car    119.944
  12    5   13   C3   O3   C3    119.939
   3    6    7  Nar  Car  Car    120.140
   6    7    9  Car  Car   Br    119.944
   6    7    8  Car  Car  Car    120.140
   8    7    9  Car  Car   Br    119.917
   4    8    7  Car  Car  Car    119.917
   2   10   13  Npl   C3   C3    120.118
   2   11   12  Npl   C3   C3    119.944
   5   12   11   O3   C3   C3    120.118
   5   13   10   O3   C3   C3    119.939


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