Accuracy

furan    621 Furan

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    #  Species Formula
   611 AcroleinC3H4O
   612 Acrolein (Geo)C3H4O
   613 AcetoneC3H6O
   614 Acetone (Geo)C3H6O
   615 PropanalC3H6O
   616 Trimethylene oxideC3H6O
   617 IsopropanolC3H8O
   618 Methyl ethyl etherC3H8O
   619 PropanolC3H8O
   620 Acetyl acetyleneC4H4O
   621 Furan C4H4O
   622 Furan (Geo)C4H4O
   623 CrotonaldehydeC4H6O
   624 Divinyl etherC4H6O
   625 2,3-DihydrofuranC4H6O
   626 ButanalC4H8O
   627 IsobutanalC4H8O
   628 Methyl ethyl ketoneC4H8O
   629 TetrahydrofuranC4H8O
   630 Diethyl etherC4H10O
   631 t-ButanolC4H10O


ΔHf: -8.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.7 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 8.9 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  

Furan
 I=8.88 IR=LLNBS82 HR=C&P1970 D=0.66 H=-8.3 DR=NLM1967 S=63.86 CP=15.63
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38082969 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38079708 +1  106.4243749 +1    0.0000000 +0     1     2     0
  C     1.36720318 +1  110.4716605 +1    0.0000000 +0     2     1     3
  C     1.36723898 +1  110.4740877 +1    0.0000000 +0     3     1     2
  H     1.06420675 +1  113.2947655 +1  180.0000000 +0     2     1     3
  H     1.06421054 +1  113.3001343 +1  180.0000000 +0     3     1     2
  H     1.06880784 +1  125.1107412 +1  180.0000000 +0     4     5     1
  H     1.06880332 +1  125.1113235 +1  180.0000000 +0     5     4     1