Accuracy

2-ethyl-4,5-dihydro-oxazole    948 2-Ethyl-4,5-dihydro-oxazole

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

    

    #  Species Formula
   938 ButanamideC4H9NO
   939 IsobutylamideC4H9NO
   940 N,N-dimethyl acetamideC4H9NO
   941 N,N-Diethyl-hydroxylamineC4H11NO
   942 2-PyridinolC5H5NO
   943 3-PyridinolC5H5NO
   944 4-PyridinolC5H5NO
   945 Pyridine 1 oxideC5H5NO
   946 3,5-Dimethyl isoxazoleC5H7NO
   947 1-Methyl-2-pyrrolidinoneC5H9NO
   948 2-Ethyl-4,5-dihydro-oxazole C5H9NO
   949 N,N-Dimethylamino-2-propen-3-alC5H9NO
   950 1-(Dimethylamino)-2-propanoneC5H11NO
   951 2,2-Dimethyl-propanamideC5H11NO
   952 N,N-Dimethyl propanamideC5H11NO
   953 2-Hydroxy-6-methylpyridineC6H7NO
   954 2-Methyl-3-pyridinolC6H7NO
   955 3-Hydroxy-2-methylpyridineC6H7NO
   956 3-Hydroxy-6-methylpyridineC6H7NO
   957 4-Hydroxy-2-methylpyridineC6H7NO
   958 6-Methyl-2(1H)-pyridinoneC6H7NO


ΔHf: -35.6 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.
  
 PM7
2-Ethyl-4,5-dihydro-oxazole
 H=-35.59 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.43962242 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55396979 +1  104.3949296 +1    0.0000000 +0     2     1     0
  C     1.38798538 +1  107.6106535 +1    0.0661395 +1     1     2     3
  C     1.48332352 +1  112.7455985 +1  179.9319441 +1     4     1     2
  C     1.52570372 +1  111.6722870 +1  179.9973775 +1     5     4     1
  N     1.29067350 +1  115.1967717 +1 -179.9997311 +1     4     1     5
  H     1.09808789 +1  106.1261843 +1 -120.9167158 +1     2     1     3
  H     1.09816845 +1  106.1082858 +1 -118.2150904 +1     2     1     8
  H     1.10683604 +1  113.1092740 +1  118.6756802 +1     3     2     1
  H     1.10691863 +1  113.0861912 +1  122.6372794 +1     3     2    10
  H     1.11434079 +1  109.3642216 +1 -122.6895695 +1     5     4     6
  H     1.11442197 +1  109.3344909 +1 -114.7159779 +1     5     4    12
  H     1.09896284 +1  111.3975621 +1  -59.6387618 +1     6     5     4
  H     1.09905258 +1  111.3817113 +1  118.5162433 +1     6     5    14
  H     1.09517887 +1  111.4339987 +1  120.7148157 +1     6     5    15