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

1-(dimethylamino)-2-propanone    952 1-(Dimethylamino)-2-propanone

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   942 N,N-dimethyl acetamideC4H9NO
   943 N,N-Diethyl-hydroxylamineC4H11NO
   944 2-PyridinolC5H5NO
   945 3-PyridinolC5H5NO
   946 4-PyridinolC5H5NO
   947 Pyridine 1 oxideC5H5NO
   948 3,5-Dimethyl isoxazoleC5H7NO
   949 1-Methyl-2-pyrrolidinoneC5H9NO
   950 2-Ethyl-4,5-dihydro-oxazoleC5H9NO
   951 N,N-Dimethylamino-2-propen-3-alC5H9NO
   952 1-(Dimethylamino)-2-propanone C5H11NO
   953 2,2-Dimethyl-propanamideC5H11NO
   954 N,N-Dimethyl propanamideC5H11NO
   955 2-Hydroxy-6-methylpyridineC6H7NO
   956 2-Methyl-3-pyridinolC6H7NO
   957 3-Hydroxy-2-methylpyridineC6H7NO
   958 3-Hydroxy-6-methylpyridineC6H7NO
   959 4-Hydroxy-2-methylpyridineC6H7NO
   960 6-Methyl-2(1H)-pyridinoneC6H7NO
   961 m-Amino phenolC6H7NO
   962 o-Amino phenolC6H7NO


ΔHf: -43.0 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
1-(Dimethylamino)-2-propanone
 H=-43.04 HR=NIST
  N     0.18183927 +1  -0.05629008 +1  -0.06601199 +1
  C     1.39452332 +1  -0.11265672 +1  -0.91139685 +1
  C    -0.31246770 +1   1.33199523 +1   0.04580056 +1
  C     0.45229706 +1  -0.63287763 +1   1.27138280 +1
  C     0.25869686 +1  -2.14594035 +1   1.12736852 +1
  C    -1.14799462 +1  -2.63547344 +1   1.00666643 +1
  O     1.21100712 +1  -2.88234103 +1   1.12510278 +1
  H     2.21511008 +1   0.53933753 +1  -0.57892276 +1
  H     1.77072456 +1  -1.15138694 +1  -0.94134513 +1
  H     1.11958566 +1   0.16619547 +1  -1.94195765 +1
  H    -1.27282737 +1   1.32914398 +1   0.58773204 +1
  H     0.37567151 +1   2.02549914 +1   0.55064687 +1
  H    -0.51478933 +1   1.72011451 +1  -0.96718837 +1
  H     1.47129746 +1  -0.41463909 +1   1.65613282 +1
  H    -0.26172931 +1  -0.23597169 +1   2.02221402 +1
  H    -1.71067096 +1  -2.47896000 +1   1.93474521 +1
  H    -1.67643820 +1  -2.09356161 +1   0.20368937 +1
  H    -1.18683049 +1  -3.70785447 +1   0.76787733 +1