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

n,n-diethylaminoacetone    974 N,N-Diethylaminoacetone

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    #  Species Formula
   964 Trimethyl isoxazoleC6H9NO
   965 CaprolactamC6H11NO
   966 Cyclohexanone oximeC6H11NO
   967 N,N-Diethyl acetamideC6H13NO
   968 N,N-DimethylbutyramineC6H13NO
   969 BenzoxazoleC7H5NO
   970 IsocyanatobenzeneC7H5NO
   971 BenzamideC7H7NO
   972 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   973 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   974 N,N-Diethylaminoacetone C7H15NO
   975 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   976 alpha-oxo BenzeneacetonitrileC8H5NO
   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


ΔHf: -55.8 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
N,N-Diethylaminoacetone
 H=-55.76 HR=NIST
  C     0.93662580 +1   0.44583818 +1  -0.34424747 +1
  C     1.22912179 +1  -0.78997260 +1  -1.12904618 +1
  O     1.03452971 +1  -0.86488877 +1  -2.31720290 +1
  C     1.74788489 +1  -2.02061444 +1  -0.38050015 +1
  N     2.73964093 +1  -1.58286215 +1   0.62304846 +1
  C     2.60672535 +1  -2.33614839 +1   1.89684325 +1
  C     3.13227041 +1  -1.46540512 +1   3.04685042 +1
  C     4.12540941 +1  -1.66124981 +1   0.09431925 +1
  C     4.34140296 +1  -0.60101571 +1  -0.99079093 +1
  H     1.79707089 +1   0.71383400 +1   0.29452501 +1
  H     0.08445065 +1   0.29591652 +1   0.33099068 +1
  H     0.71081229 +1   1.29961059 +1  -0.99662044 +1
  H     0.87244166 +1  -2.51678452 +1   0.09315838 +1
  H     2.15358901 +1  -2.75466109 +1  -1.11204611 +1
  H     1.53285177 +1  -2.56154881 +1   2.07966951 +1
  H     3.13731802 +1  -3.31131020 +1   1.87565293 +1
  H     4.22540550 +1  -1.42972491 +1   3.07025507 +1
  H     2.77739808 +1  -0.43112858 +1   2.94088626 +1
  H     2.78663948 +1  -1.84198471 +1   4.01366480 +1
  H     4.82483243 +1  -1.46535501 +1   0.93830578 +1
  H     4.37302448 +1  -2.67004650 +1  -0.30118023 +1
  H     3.74029747 +1  -0.80143695 +1  -1.88668559 +1
  H     4.06156993 +1   0.39555370 +1  -0.62753384 +1
  H     5.39128190 +1  -0.56338628 +1  -1.29842540 +1