Accuracy

1-methyl-2-pyrrolidinone    806 1-Methyl-2-pyrrolidinone

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    #  Species Formula
   796 4,5-Dihydro-2-methyl oxazoleC4H7NO
   797 2-Methyl propanamideC4H9NO
   798 ButanamideC4H9NO
   799 IsobutylamideC4H9NO
   800 N,N-Diethyl-hydroxylamineC4H11NO
   801 2-PyridinolC5H5NO
   802 3-PyridinolC5H5NO
   803 4-PyridinolC5H5NO
   804 Pyridine 1 oxideC5H5NO
   805 3,5-Dimethyl isoxazoleC5H7NO
   806 1-Methyl-2-pyrrolidinone C5H9NO
   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


ΔHf: -50.4 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.
  

1-Methyl-2-pyrrolidinone
 H=-50.39 HR=NIST
  C    -0.00317505 +1   0.01081421 +1   0.09107903 +1
  C     1.54909244 +1   0.01831555 +1   0.05036419 +1
  C     1.96587881 +1   1.49321526 +1  -0.08518793 +1
  N    -0.39159435 +1   1.42072373 +1  -0.02334462 +1
  C    -1.78793143 +1   1.81340167 +1  -0.02921423 +1
  C     0.67282532 +1   2.28903101 +1  -0.12520322 +1
  O     0.55698349 +1   3.48858609 +1  -0.22837662 +1
  H    -0.38523292 +1  -0.42151594 +1   1.03882862 +1
  H    -0.43129229 +1  -0.57971874 +1  -0.74492635 +1
  H     1.92256627 +1  -0.58235496 +1  -0.79443718 +1
  H     1.96830731 +1  -0.43414760 +1   0.96327253 +1
  H     2.59237753 +1   1.83354519 +1   0.75851434 +1
  H     2.55392285 +1   1.68269439 +1  -1.00085535 +1
  H    -2.28767264 +1   1.51745812 +1   0.90995356 +1
  H    -1.86733461 +1   2.91632294 +1  -0.12623255 +1
  H    -2.32561493 +1   1.35745214 +1  -0.87926109 +1