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

3,4-dihydro-2h-pyran    774 3,4-Dihydro-2H-pyran

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   764 Divinyl etherC4H6O
   765 ButanalC4H8O
   766 IsobutanalC4H8O
   767 Methyl ethyl ketoneC4H8O
   768 TetrahydrofuranC4H8O
   769 Diethyl etherC4H10O
   770 t-ButanolC4H10O
   771 C-C-C-C-C-O (Geo)C5O
   772 2,3-Dihydro-5-methyl-furanC5H8O
   773 2-EthylacroleinC5H8O
   774 3,4-Dihydro-2H-pyran C5H8O
   775 3-Penten-2-oneC5H8O
   776 CyclopentanoneC5H8O
   777 Diethyl ketoneC5H10O
   778 TetrahydropyranC5H10O
   779 t-Butyl methyl etherC5H12O
   780 Phenoxy, anionC6H5O
   781 PhenolC6H6O
   782 4-Methyl-3-penten-2-oneC6H10O
   783 CyclohexanoneC6H10O
   784 Methyl neopentyl ketoneC6H12O


ΔHf: -27.0 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
3,4-Dihydro-2H-pyran
 H=-27.0 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.35623284 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.33838208 +1  125.3200187 +1    0.0000000 +0     2     1     0
  C     1.49210715 +1  121.1892617 +1    0.7307851 +1     3     2     1
  C     1.53631863 +1  110.2805265 +1   18.7463250 +1     4     3     2
  C     1.42702845 +1  116.4371467 +1   10.0499581 +1     1     2     3
  H     1.08525654 +1  106.8242980 +1  178.7228898 +1     2     1     3
  H     1.08176593 +1  122.2598590 +1  179.4845171 +1     3     2     4
  H     1.10983278 +1  109.9954492 +1 -121.9360651 +1     4     3     5
  H     1.10841387 +1  110.5653544 +1 -116.2492132 +1     4     3     9
  H     1.10364273 +1  110.9975539 +1 -167.8069654 +1     5     4     3
  H     1.10730037 +1  109.7898473 +1 -117.4285211 +1     5     4    11
  H     1.10480131 +1  107.0905356 +1   83.6460466 +1     6     1     2
  H     1.10527577 +1  102.0704830 +1  115.3038689 +1     6     1    13