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(1,5-DIMETHYL-1H-PYRAZOL-3-YL)METHANOL
(1,5-DIMETHYL-1H-PYRAZOL-3-YL)METHANOL
ID: BP-11231
CAS:153912-60-8
Supplier:BroadPharm

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SMILES:n1n(c(cc1CO)C)C	
FORMULA: C6H10N2O
MASS: 126.1564
EXACT MASS: 126.0793130
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2487     0.0000 
   C   3    2.0201     1.2507     0.0000 
   C   4    2.0197     2.0237     1.2509     0.0000 
   C   5    1.2442     2.0180     2.0185     1.2476     0.0000 
   C   6    2.2307     1.2515     2.2278     3.2364     3.2323     0.0000 
   C   7    2.2247     3.2337     3.2348     2.2278     1.2543     4.4016 
   C   8    3.2344     2.2294     1.2526     2.2317     3.2337     2.7180 
   O   9    2.6045     3.8194     4.1584     3.3396     2.1625     4.8145 

              C   7      C   8      O   9
              ---------------------------------
   C   7    0.0000 
   C   8    4.4040     0.0000 
   O   9    1.2435     5.3911     0.0000 



ATOMIC CHARGES
   N   1   -0.1712959445
   N   2   -0.2530847899
   C   3    0.0572907372
   C   4    0.0333924155
   C   5    0.1128449189
   C   6    0.1532994924
   C   7    0.2292002789
   C   8    0.0517448799
   O   9   -0.2133919884


BOND ANGLES
   2    1    5  Nar  Nar  Car    108.095
   1    2    3  Nar  Nar  Car    107.847
   1    2    6  Nar  Nar   C3    126.310
   3    2    6  Car  Nar   C3    125.843
   2    3    8  Nar  Car   C3    125.903
   2    3    4  Nar  Car  Car    107.989
   4    3    8  Car  Car   C3    126.108
   3    4    5  Car  Car  Car    107.775
   1    5    4  Nar  Car  Car    108.294
   4    5    7  Car  Car   C3    125.860
   1    5    7  Nar  Car   C3    125.847
   5    7    9  Car   C3   O3    119.940


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