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

n,n-dimethyamino-2,4,6-heptatriene-7-al    991 N,N-Dimethyamino-2,4,6-heptatriene-7-al

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    #  Species Formula
   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-QuinolinolC9H7NO
   988 a-CyanoacetophenoneC9H7NO
   989 2,4,6-TrimethylnitrosobenzeneC9H11NO
   990 N,N-Dimethyl benzamideC9H11NO
   991 N,N-Dimethyamino-2,4,6-heptatriene-7-al C9H13NO
   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
   998 beta-CyanopropiophenoneC10H9NO
   999 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO
  1000 2-(Dimethylamino)-acetophenoneC10H13NO
  1001 N,N,4-Trimethyl benzamideC10H13NO


ΔHf: 5.2 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-Dimethyamino-2,4,6-heptatriene-7-al
 H=5.17 HR=NIST
  C    -0.01301387 +1   0.02437894 +1   0.17825750 +1
  N     1.40790792 +1  -0.07611613 +1  -0.17461051 +1
  C     2.19729383 +1   1.09641998 +1   0.23352280 +1
  C     2.03811396 +1  -1.30550903 +1  -0.06127365 +1
  C     1.40677563 +1  -2.50354541 +1   0.04045156 +1
  C     2.13875471 +1  -3.74364015 +1  -0.02235587 +1
  C     1.53525449 +1  -4.94864452 +1   0.05177229 +1
  C     2.27706575 +1  -6.19146742 +1  -0.00883650 +1
  C     1.67566953 +1  -7.39319425 +1  -0.01035832 +1
  C     2.43645933 +1  -8.64803138 +1  -0.07531881 +1
  O     1.88858901 +1  -9.72683851 +1  -0.10263145 +1
  H    -0.59546092 +1  -0.69892917 +1  -0.42303405 +1
  H    -0.21001936 +1  -0.16923452 +1   1.24557969 +1
  H    -0.39161919 +1   1.03027037 +1  -0.07226003 +1
  H     2.28579310 +1   1.19672665 +1   1.32790496 +1
  H     3.21162961 +1   1.04351681 +1  -0.19799308 +1
  H     1.72521868 +1   2.01289587 +1  -0.16349950 +1
  H     3.13351954 +1  -1.25987311 +1  -0.16221109 +1
  H     0.33071564 +1  -2.57798454 +1   0.16374069 +1
  H     3.22396623 +1  -3.66807699 +1  -0.13491650 +1
  H     0.45337579 +1  -5.02927423 +1   0.15725972 +1
  H     3.36736164 +1  -6.10444145 +1  -0.05496161 +1
  H     0.59325313 +1  -7.50767073 +1   0.03156654 +1
  H     3.53379184 +1  -8.59136622 +1  -0.09672623 +1