Accuracy

ch.c.cn    467 CH.C.CN

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    #  Species Formula
   457 Acetonitrile (Geo)C2H3N
   458 Methyl isocyanide (Geo)C2H3N
   459 Methyl isocyanideC2H3N
   460 Ethyleneimine (Azirane) (Geo)C2H5N
   461 Ethyleneimine (Azirane)C2H5N
   462 Dimethyl nitrogen, anionC2H6N
   463 DimethylamineC2H7N
   464 EthylamineC2H7N
   465 Dimethylamine (Geo)C2H7N
   466 N,N-Dimethylamine diboraneC2H11B2N
   467 CH.C.CN HC3N
   468 CH.C.CN (Geo)HC3N
   469 AcrylonitrileC3H3N
   470 Acrylonitrile (Geo)C3H3N
   471 Ethyl cyanideC3H5N
   472 CyclopropylamineC3H7N
   473 IsopropylamineC3H9N
   474 Trimethylamine (Geo)C3H9N
   475 n-PropylamineC3H9N
   476 TrimethylamineC3H9N
   477 Trimethyamine-Borane adductH12BC3N


Dipole: 3.7 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 11.8 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
CH.C.CN
 DR=NLM1967 D=3.72 I=11.75 IR=LLNBS82
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15936409 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.37235142 +1  180.0000000 +0    0.0000000 +0     2     1     0
  C     1.21252290 +1  180.0000000 +0  180.0000000 +0     3     2     1
  H     1.03453342 +1  180.0000000 +0  180.0000000 +0     4     3     2