Accuracy

tetrahydrofuran    766 Tetrahydrofuran

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

    

    #  Species Formula
   756 PropanolC3H8O
   757 Acetyl acetyleneC4H4O
   758 FuranC4H4O
   759 Furan (Geo)C4H4O
   760 2,3-DihydrofuranC4H6O
   761 CrotonaldehydeC4H6O
   762 Divinyl etherC4H6O
   763 ButanalC4H8O
   764 IsobutanalC4H8O
   765 Methyl ethyl ketoneC4H8O
   766 Tetrahydrofuran C4H8O
   767 Diethyl etherC4H10O
   768 t-ButanolC4H10O
   769 C-C-C-C-C-O (Geo)C5O
   770 2,3-Dihydro-5-methyl-furanC5H8O
   771 2-EthylacroleinC5H8O
   772 3,4-Dihydro-2H-pyranC5H8O
   773 3-Penten-2-oneC5H8O
   774 CyclopentanoneC5H8O
   775 Diethyl ketoneC5H10O
   776 TetrahydropyranC5H10O


ΔHf: -44.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tetrahydrofuran
 H=-44.02 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53970706 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53480450 +1  104.8450783 +1    0.0000000 +0     2     1     0
  C     1.53477151 +1  104.8117461 +1   -0.2297286 +1     1     2     3
  O     1.42172508 +1  108.2589565 +1   12.0954095 +1     3     2     1
  H     1.10107643 +1  111.5870167 +1  120.7518630 +1     1     2     3
  H     1.10201019 +1  111.0983060 +1 -120.7315085 +1     1     2     3
  H     1.10103787 +1  111.5980198 +1 -121.2788847 +1     2     1     4
  H     1.10215614 +1  111.0665622 +1  120.2252090 +1     2     1     4
  H     1.10233973 +1  112.7783250 +1 -106.4634703 +1     3     2     1
  H     1.10189578 +1  113.8208482 +1  127.4923051 +1     3     2     1
  H     1.10226851 +1  112.7635707 +1  106.8816947 +1     4     1     2
  H     1.10187652 +1  113.7801643 +1 -127.1171077 +1     4     1     2