Accuracy

hydrogen isocyanate    919 Hydrogen isocyanate

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

    

    #  Species Formula
   909 2,6-DiisopropylphenolC12H18O
   910 BenzophenoneC13H10O
   911 AnthoneC14H10O
   912 1,1'-DiadamantylketoneC21H30O
   913 Nitric oxide, cationNO
   914 Nitric oxideNO
   915 Nitrogen oxide (Geo)NO
   916 Lithium oxynitride (Geo)LiNO
   917 NCOCNO
   918 Hydrogen isocyanate (Geo)HCNO
   919 Hydrogen isocyanate HCNO
   920 FormamideCH3NO
   921 Formamide (Geo)CH3NO
   922 AcetaldoximeC2H5NO
   923 AcetamideC2H5NO
   924 IsoxazoleC3H3NO
   925 OxaloneC3H3NO
   926 AcrylamineC3H5NO
   927 MethoxyacetonitrileC3H5NO
   928 DimethylformamideC3H7NO
   929 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.
  
 PM7
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