Accuracy

m-amino phenol    817 m-Amino phenol

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

    

    #  Species Formula
   807 2-Ethyl-4,5-dihydro-oxazoleC5H9NO
   808 N,N-Dimethylamino-2-propen-3-alC5H9NO
   809 1-(Dimethylamino)-2-propanoneC5H11NO
   810 2,2-Dimethyl-propanamideC5H11NO
   811 N,N-Dimethyl propanamideC5H11NO
   812 2-Hydroxy-6-methylpyridineC6H7NO
   813 3-Hydroxy-2-methylpyridineC6H7NO
   814 3-Hydroxy-6-methylpyridineC6H7NO
   815 4-Hydroxy-2-methylpyridineC6H7NO
   816 6-Methyl-2(1H)-pyridinoneC6H7NO
   817 m-Amino phenol C6H7NO
   818 o-Amino phenolC6H7NO
   819 p-Amino phenolC6H7NO
   820 Trimethyl isoxazoleC6H9NO
   821 CaprolactamC6H11NO
   822 Cyclohexanone oximeC6H11NO
   823 N,N-Diethyl acetamideC6H13NO
   824 N,N-DimethylbutyramineC6H13NO
   825 BenzoxazoleC7H5NO
   826 IsocyanatobenzeneC7H5NO
   827 BenzamideC7H7NO


ΔHf: -23.6 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.
  

m-Amino phenol
 H=-23.6 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.35813505 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39830109 +1  121.7992458 +1    0.0000000 +0     2     1     0
  C     1.39433287 +1  117.7772945 +1  179.9911585 +1     3     2     1
  C     1.38730223 +1  121.3549514 +1    0.0100080 +1     4     3     2
  C     1.41462616 +1  119.6034731 +1    0.0100162 +1     5     4     3
  C     1.40631385 +1  120.4147175 +1   -0.0079674 +1     6     5     4
  H     1.08244662 +1  120.3612495 +1 -179.9985267 +1     5     4     6
  H     0.98729626 +1  112.1767384 +1   -0.0264802 +1     1     2     3
  H     1.08016329 +1  121.3498275 +1 -179.9932192 +1     3     2     4
  H     1.09168691 +1  119.1896019 +1 -179.9980997 +1     4     3     5
  N     1.37940282 +1  119.8500219 +1 -179.9967448 +1     6     5     7
  H     1.08231818 +1  122.1439815 +1  179.9882019 +1     7     6     5
  H     0.99276593 +1  121.1205494 +1   -0.0029305 +1    12     6     5
  H     0.99347791 +1  121.0388880 +1 -179.9831118 +1    12     6    14