Accuracy

ethyl cyanide    471 Ethyl cyanide

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    #  Species Formula
   461 Ethyleneimine (Azirane)C2H5N
   462 Dimethyl nitrogen, anionC2H6N
   463 DimethylamineC2H7N
   464 EthylamineC2H7N
   465 Dimethylamine (Geo)C2H7N
   466 N,N-Dimethylamine diboraneC2H11B2N
   467 CH.C.CNHC3N
   468 CH.C.CN (Geo)HC3N
   469 AcrylonitrileC3H3N
   470 Acrylonitrile (Geo)C3H3N
   471 Ethyl cyanide C3H5N
   472 CyclopropylamineC3H7N
   473 IsopropylamineC3H9N
   474 Trimethylamine (Geo)C3H9N
   475 n-PropylamineC3H9N
   476 TrimethylamineC3H9N
   477 Trimethyamine-Borane adductH12BC3N
   478 Trimethylborane-Ammonia adductH12BC3N
   479 (E)-2-ButenenitrileC4H5N
   480 (Z)-2-ButenenitrileC4H5N
   481 3-ButenenitrileC4H5N


ΔHf: 12.1 kcal/mol,     REF: D. R. Stull, E. F. Westrum, Jr., G. C. Sinke, "The Chemical Thermodynamics of Organic Compounds," Wiley, New York, N.Y., 1969.
I.P.: 11.9 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.
  
 PM7
Ethyl cyanide
 HR=SWS1969 H=12.1 I=11.9 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52997604 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.44542681 +1  110.6584369 +1    0.0000000 +0     2     1     0
  H     1.11719344 +1  110.1348837 +1  122.2275376 +1     2     1     3
  H     1.11719139 +1  110.1259000 +1 -122.2110607 +1     2     1     3
  H     1.09784769 +1  111.6698758 +1   60.0996733 +1     1     2     3
  H     1.09694008 +1  111.1537365 +1 -179.9429514 +1     1     2     3
  H     1.09786340 +1  111.6781484 +1  -59.9761907 +1     1     2     3
  N     1.15672497 +1  179.9989600 +1    1.2124630 +1     3     2     1