PM7 Accuracy

3-hydroxy-6-methylpyridine    959 3-Hydroxy-6-methylpyridine

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   949 3,5-Dimethyl isoxazoleC5H7NO
   950 1-Methyl-2-pyrrolidinoneC5H9NO
   951 2-Ethyl-4,5-dihydro-oxazoleC5H9NO
   952 N,N-Dimethylamino-2-propen-3-alC5H9NO
   953 1-(Dimethylamino)-2-propanoneC5H11NO
   954 2,2-Dimethyl-propanamideC5H11NO
   955 N,N-Dimethyl propanamideC5H11NO
   956 2-Hydroxy-6-methylpyridineC6H7NO
   957 2-Methyl-3-pyridinolC6H7NO
   958 3-Hydroxy-2-methylpyridineC6H7NO
   959 3-Hydroxy-6-methylpyridine C6H7NO
   960 4-Hydroxy-2-methylpyridineC6H7NO
   961 6-Methyl-2(1H)-pyridinoneC6H7NO
   962 m-Amino phenolC6H7NO
   963 o-Amino phenolC6H7NO
   964 p-Amino phenolC6H7NO
   965 Trimethyl isoxazoleC6H9NO
   966 CaprolactamC6H11NO
   967 Cyclohexanone oximeC6H11NO
   968 N,N-Diethyl acetamideC6H13NO
   969 N,N-DimethylbutyramineC6H13NO


DHf: -16.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
3-Hydroxy-6-methylpyridine
 H=-16.7 HR=NIST
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.09260191  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40269690  1  122.5124676  1    0.0000000  0     2     1     0
  C     1.39984026  1  120.3091732  1 -179.9780082  1     3     2     1
  C     1.38685857  1  117.7629457  1    0.0254009  1     4     3     2
  C     1.40966315  1  119.2379034  1   -0.0039544  1     5     4     3
  N     1.34676336  1  122.3416092  1   -0.0213423  1     6     5     4
  H     1.08702016  1  120.7313414  1 -179.9952524  1     5     4     6
  H     1.95540639  1   95.6298454  1  179.9939293  1     3     2     4
  O     0.98897289  1   40.0791543  1 -179.9985837  1     9     3     2
  H     1.08865187  1  120.1292603  1 -179.9974207  1     4     3     5
  C     1.49270539  1  120.7963872  1  179.9629536  1     6     5     7
  H     1.09911518  1  111.3917391  1  -60.1855732  1    12     6     5
  H     1.09914123  1  111.3937351  1  120.6507966  1    12     6    13
  H     1.10352877  1  111.7051229  1  119.6763924  1    12     6    14