Accuracy

hydrogen isocyanate    779 Hydrogen isocyanate

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

    

    #  Species Formula
   769 p-HydroxybiphenylC12H10O
   770 Isobutyl phenyl ketoneC12H16O
   771 2,6-DiisopropylphenolC12H18O
   772 BenzophenoneC13H10O
   773 AnthoneC14H10O
   774 1,1'-DiadamantylketoneC21H30O
   775 Nitric oxide, cationNO
   776 Nitric oxideNO
   777 Nitrogen oxide (Geo)NO
   778 NCOCNO
   779 Hydrogen isocyanate HCNO
   780 FormamideCH3NO
   781 Formamide (Geo)CH3NO
   782 AcetaldoximeC2H5NO
   783 AcetamideC2H5NO
   784 IsoxazoleC3H3NO
   785 OxaloneC3H3NO
   786 AcrylamineC3H5NO
   787 MethoxyacetonitrileC3H5NO
   788 DimethylformamideC3H7NO
   789 N-Methyl acetamideC3H7NO


ΔHf: -24.3 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 11.6 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.
  

Hydrogen isocyanate
 H=-24.3 HR=JANAF86 I=11.6 IR=LLNBS82
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     0.98341004 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.21914772 +1  137.8811896 +1    0.0000000 +0     2     1     0
  O     1.17343330 +1  166.6805536 +1 -179.9996572 +1     3     2     1