Accuracy

5-methyl isoxazole    933 5-Methyl isoxazole

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

   

    #  Species Formula
   923 AcetamideC2H5NO
   924 IsoxazoleC3H3NO
   925 OxaloneC3H3NO
   926 AcrylamineC3H5NO
   927 MethoxyacetonitrileC3H5NO
   928 DimethylformamideC3H7NO
   929 N-Methyl acetamideC3H7NO
   930 PropanamideC3H7NO
   931 DimethylaminomethanolC3H9NO
   932 3-Methyl isoxazoleC4H5NO
   933 5-Methyl isoxazole C4H5NO
   934 2-PyrrolidinoneC4H7NO
   935 4,5-Dihydro-2-methyl oxazoleC4H7NO
   936 MethacrylamideC4H7NO
   937 2-Methyl propanamideC4H9NO
   938 ButanamideC4H9NO
   939 IsobutylamideC4H9NO
   940 N,N-dimethyl acetamideC4H9NO
   941 N,N-Diethyl-hydroxylamineC4H11NO
   942 2-PyridinolC5H5NO
   943 3-PyridinolC5H5NO


ΔHf: 8.1 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
5-Methyl isoxazole
 H=8.14 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37172027 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.44676093 +1  104.5857304 +1    0.0000000 +0     1     2     0
  N     1.32575814 +1  109.4695724 +1    0.0132732 +1     3     1     2
  O     1.37593081 +1  108.6130218 +1    0.0041838 +1     4     3     1
  C     1.46334347 +1  135.5692399 +1 -179.9939368 +1     2     1     3
  H     1.07826010 +1  126.6836984 +1  179.9973294 +1     3     1     4
  H     1.06612907 +1  129.4255007 +1 -179.9932520 +1     1     2     3
  H     1.10473419 +1  111.8056862 +1  119.6803784 +1     6     2     1
  H     1.10469636 +1  111.8346535 +1  119.5285607 +1     6     2     9
  H     1.10247387 +1  111.9033650 +1  120.2722902 +1     6     2    10