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1-[5-(methoxymethyl)-1H-pyrazol-3-yl]methanamine
1-[5-(methoxymethyl)-1H-pyrazol-3-yl]methanamine
ID: BP-11222
Supplier:BroadPharm

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SMILES:n1[nH]c(cc1CN)COC	
FORMULA: C6H11N3O
MASS: 141.1710
EXACT MASS: 141.0902120
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2438     0.0000 
   C   3    2.0180     1.2488     0.0000 
   C   4    2.0237     2.0213     1.2476     0.0000 
   C   5    1.2507     2.0180     2.0185     1.2509     0.0000 
   N   6    2.6160     3.8254     4.1663     3.3529     2.1711     0.0000 
   C   7    3.2337     2.2305     1.2543     2.2278     3.2348     5.4005 
   C   8    2.2294     3.2316     3.2336     2.2316     1.2525     1.2526 
   O   9    3.8194     2.6101     2.1625     3.3396     4.1584     6.2573 
   C  10    5.0671     3.8641     3.3096     4.3889     5.3278     7.4609 

              C   7      C   8      O   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    4.4039     0.0000 
   O   9    1.2435     5.3910     0.0000 
   C  10    2.1625     6.5348     1.2543     0.0000 



ATOMIC CHARGES
   N   1   -0.1510740329
   N   2   -0.1500873148
   C   3    0.1115832784
   C   4    0.0370065578
   C   5    0.1010083956
   N   6   -0.1244462344
   C   7    0.1894081226
   C   8    0.1565865323
   O   9   -0.3446405533
   C  10    0.1746552487


BOND ANGLES
   2    1    5  Nar  Nar  Car    107.997
   1    2    3  Nar  Nar  Car    108.113
   2    3    7  Nar  Car   C3    126.014
   2    3    4  Nar  Car  Car    108.127
   4    3    7  Car  Car   C3    125.860
   3    4    5  Car  Car  Car    107.775
   1    5    4  Nar  Car  Car    107.989
   4    5    8  Car  Car   C3    126.108
   1    5    8  Nar  Car   C3    125.903
   3    7    9  Car   C3   O3    119.940
   5    8    6  Car   C3   N3    120.149
   7    9   10   C3   O3   C3    119.940


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