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

c5or    771 C-C-C-C-C-O (Geo)

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    #  Species Formula
   761 Furan (Geo)C4H4O
   762 2,3-DihydrofuranC4H6O
   763 CrotonaldehydeC4H6O
   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-pyranC5H8O
   775 3-Penten-2-oneC5H8O
   776 CyclopentanoneC5H8O
   777 Diethyl ketoneC5H10O
   778 TetrahydropyranC5H10O
   779 t-Butyl methyl etherC5H12O
   780 Phenoxy, anionC6H5O
   781 PhenolC6H6O


REF: R. Janoschek, IUPAC Report, (2001).
  
 PM7
C-C-C-C-C-O
 <C1-O> <C1-C2> <C2-C3> <C3-C4> <C4-C5> GR=RJ2001
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15550000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.28280000 +1  180.0000000 +0    0.0000000 +0     2     1     0
  C     1.25920000 +1  180.0000000 +0    0.0000000 +0     3     2     1
  C     1.28970000 +1  180.0000000 +0    0.0000000 +0     4     3     2
  C     1.27440000 +1  180.0000000 +0    0.0000000 +0     5     4     3