Accuracy

2-ethyl-1h-imidazole    617 2-Ethyl-1H-imidazole

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

    

    #  Species Formula
   607 PyridazineC4H4N2
   608 SuccinonitrileC4H4N2
   609 2-Methyl-1H-imidazoleC4H6N2
   610 (Dimethylamino) acetonitrileC4H8N2
   611 1,4,5,6-TetrahydropyrimidineC4H8N2
   612 PiperazineC4H10N2
   613 2-AminopyridineC5H6N2
   614 3-AminopyridineC5H6N2
   615 4-AminopyridineC5H6N2
   616 Dimethyl propanedinitrileC5H6N2
   617 2-Ethyl-1H-imidazole C5H8N2
   618 DiethylcyanamideC5H10N2
   619 ButylmethyldiazeneC5H12N2
   620 N,N-Dimethyl-1,3-propanediamineC5H14N2
   621 2-CyanopyridineC6H4N2
   622 3-CyanopyridineC6H4N2
   623 4-CyanopyridineC6H4N2
   624 2,3-Dimethyl pyrazineC6H8N2
   625 HexanedinitrileC6H8N2
   626 PhenylhydrazineC6H8N2
   627 3(Dimethylamino) propanenitrileC6H12N2


ΔHf: 16.3 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2-Ethyl-1H-imidazole
 H=16.3 HR=NIST
  C     0.04493107 +1  -0.06392295 +1  -0.12976485 +1
  N     1.26399703 +1   0.26390596 +1   0.33280149 +1
  C     1.60300877 +1   1.48546118 +1  -0.23237468 +1
  C     0.56895513 +1   1.91858838 +1  -1.06052076 +1
  N    -0.42186576 +1   0.93571679 +1  -0.99225774 +1
  C    -0.73231757 +1  -1.28060011 +1   0.20653570 +1
  C    -0.76358055 +1  -2.26093110 +1  -0.96665423 +1
  H     2.54135322 +1   1.95243150 +1  -0.00586735 +1
  H     0.46837579 +1   2.79969470 +1  -1.65560064 +1
  H    -1.28569574 +1   0.94811616 +1  -1.48147338 +1
  H    -0.26695399 +1  -1.77258655 +1   1.09559588 +1
  H    -1.76256433 +1  -1.01563363 +1   0.52302101 +1
  H    -1.24753354 +1  -1.83195348 +1  -1.84931213 +1
  H     0.25330144 +1  -2.55648387 +1  -1.26062714 +1
  H    -1.30577265 +1  -3.17644274 +1  -0.70149153 +1