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Products Information

2-PYRAZINYLMETHANOL
2-PYRAZINYLMETHANOL
ID: BP-11245
CAS:6705-33-5
Supplier:BroadPharm

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SMILES:n1c(cncc1)CO	
FORMULA: C5H6N2O
MASS: 110.1139
EXACT MASS: 110.0480128
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.4978     0.0000 
   C   3    1.2471     2.1654     0.0000 
   C   4    2.1625     1.2500     1.2507     0.0000 
   O   5    3.3055     3.7500     2.1654     2.5000     0.0000 
   C   6    2.1634     3.3074     1.2500     2.1654     1.2507     0.0000 
   C   7    1.2500     2.1625     2.1634     2.4978     4.3288     3.3061 
   C   8    2.1634     1.2507     2.5000     2.1654     4.5071     3.7500 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2471     0.0000 



ATOMIC CHARGES
   N   1   -0.2423419715
   N   2   -0.2393696188
   C   3    0.1112354549
   C   4    0.1161792025
   O   5   -0.2133998564
   C   6    0.2290040890
   C   7    0.1191862554
   C   8    0.1195064449


BOND ANGLES
   3    1    7  Car  Nar  Car    120.077
   4    2    8  Car  Nar  Car    119.982
   1    3    4  Nar  Car  Car    119.941
   1    3    6  Nar  Car   C3    120.077
   4    3    6  Car  Car   C3    119.982
   2    4    3  Nar  Car  Car    119.982
   3    6    5  Car   C3   O3    119.982
   1    7    8  Nar  Car  Car    120.077
   2    8    7  Nar  Car  Car    119.941


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