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

4,5-dihydro-2-methyl oxazole    937 4,5-Dihydro-2-methyl oxazole

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   927 OxaloneC3H3NO
   928 AcrylamineC3H5NO
   929 MethoxyacetonitrileC3H5NO
   930 DimethylformamideC3H7NO
   931 N-Methyl acetamideC3H7NO
   932 PropanamideC3H7NO
   933 DimethylaminomethanolC3H9NO
   934 3-Methyl isoxazoleC4H5NO
   935 5-Methyl isoxazoleC4H5NO
   936 2-PyrrolidinoneC4H7NO
   937 4,5-Dihydro-2-methyl oxazole C4H7NO
   938 MethacrylamideC4H7NO
   939 2-Methyl propanamideC4H9NO
   940 ButanamideC4H9NO
   941 IsobutylamideC4H9NO
   942 N,N-dimethyl acetamideC4H9NO
   943 N,N-Diethyl-hydroxylamineC4H11NO
   944 2-PyridinolC5H5NO
   945 3-PyridinolC5H5NO
   946 4-PyridinolC5H5NO
   947 Pyridine 1 oxideC5H5NO


ΔHf: -31.2 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
4,5-Dihydro-2-methyl oxazole
 H=-31.18 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.29134977 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47312427 +1  108.9183897 +1    0.0000000 +0     1     2     0
  C     1.55345789 +1  103.7980701 +1   -0.0063150 +1     3     1     2
  O     1.44178148 +1  104.3887270 +1   -0.0264192 +1     4     3     1
  C     1.47314504 +1  130.6734486 +1 -179.9818127 +1     2     1     3
  H     1.10727855 +1  109.5841111 +1 -121.1996753 +1     3     1     4
  H     1.10731610 +1  109.5784070 +1 -117.7112296 +1     3     1     7
  H     1.09811405 +1  114.2550483 +1 -115.1609533 +1     4     3     5
  H     1.09795856 +1  114.2354243 +1 -129.5541403 +1     4     3     9
  H     1.10344215 +1  111.2962690 +1  119.8688585 +1     6     2     1
  H     1.10344310 +1  111.3125557 +1  119.3550472 +1     6     2    11
  H     1.10412078 +1  111.4115770 +1  120.3420636 +1     6     2    12