PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

8-quinolinol    987 8-Quinolinol

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   977 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   978 N-methyl-N-phenyl formamideC8H9NO
   979 Octanone-1-oximeC8H17NO
   980 Octanone-2-oximeC8H17NO
   981 Octanone-3-oximeC8H17NO
   982 Octanone-4-oximeC8H17NO
   983 2(1H)-QuinolinoneC9H7NO
   984 3-Phenyl isoxazoleC9H7NO
   985 4-QuinolinolC9H7NO
   986 5-Phenyl isoxazoleC9H7NO
   987 8-Quinolinol C9H7NO
   988 a-CyanoacetophenoneC9H7NO
   989 2,4,6-TrimethylnitrosobenzeneC9H11NO
   990 N,N-Dimethyl benzamideC9H11NO
   991 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   992 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   993 2-Methyl-4-hydroxyquinolineC10H9NO
   994 2-Methyl-8-quinolinolC10H9NO
   995 3-Methyl-5-phenyl isoxazoleC10H9NO
   996 4-Methyl-2-hydroxyquinolineC10H9NO
   997 5-Methyl-3-phenyl isoxazoleC10H9NO


ΔHf: 1.6 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
8-Quinolinol
 H=1.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37851987 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41104071 +1  119.0496785 +1    0.0000000 +0     2     1     0
  C     1.37589395 +1  121.4203208 +1   -0.0170579 +1     3     2     1
  C     1.41639217 +1  120.2909003 +1    0.0166123 +1     4     3     2
  C     1.41441875 +1  119.4118437 +1    0.0088525 +1     5     4     3
  N     1.37390983 +1  122.9244800 +1  179.9264431 +1     6     5     4
  C     1.31945496 +1  118.3734021 +1    0.0002095 +1     7     6     5
  C     1.42959761 +1  122.8313232 +1    0.0168281 +1     8     7     6
  C     1.36921548 +1  119.1440986 +1   -0.0144489 +1     9     8     7
  O     1.34849198 +1  117.8387156 +1 -179.9630348 +1     1     2     3
  H     1.08751189 +1  120.3430992 +1  179.9731149 +1     2     1     3
  H     1.09156245 +1  118.3478797 +1 -179.9825248 +1     3     2     4
  H     1.08718582 +1  120.7972319 +1 -179.9956865 +1     4     3     5
  H     1.09703873 +1  116.8290746 +1  179.9898763 +1     8     7     9
  H     1.08681066 +1  119.0489953 +1  179.9974156 +1     9     8    10
  H     1.08972435 +1  121.5184352 +1  179.9999007 +1    10     9     8
  H     1.00243344 +1  110.8721280 +1  179.9922136 +1    11     1     2