PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2-methyl-1h-imidazole    611 2-Methyl-1H-imidazole

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   601 EthylenediamineC2H8N2
   602 1H-PyrazoleC3H4N2
   603 ImidazoleC3H4N2
   604 1,2-PropanediamineC3H10N2
   605 DicyanoacetyleneC4N2
   606 FumaronitrileC4H2N2
   607 1,3-DiazineC4H4N2
   608 PyrazineC4H4N2
   609 PyridazineC4H4N2
   610 SuccinonitrileC4H4N2
   611 2-Methyl-1H-imidazole C4H6N2
   612 (Dimethylamino) acetonitrileC4H8N2
   613 1,4,5,6-TetrahydropyrimidineC4H8N2
   614 PiperazineC4H10N2
   615 2-AminopyridineC5H6N2
   616 3-AminopyridineC5H6N2
   617 4-AminopyridineC5H6N2
   618 Dimethyl propanedinitrileC5H6N2
   619 2-Ethyl-1H-imidazoleC5H8N2
   620 DiethylcyanamideC5H10N2
   621 ButylmethyldiazeneC5H12N2


ΔHf: 21.5 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-Methyl-1H-imidazole
 H=21.5 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39768766 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39396871 +1  106.1531729 +1    0.0000000 +0     2     1     0
  N     1.38790670 +1  109.5752044 +1    0.0202628 +1     3     2     1
  C     1.34461146 +1  107.1918676 +1    0.0153090 +1     4     3     2
  C     1.47436194 +1  126.9551450 +1  179.9892935 +1     5     4     3
  H     0.99219859 +1  125.6779365 +1 -179.9978869 +1     1     2     3
  H     1.06740439 +1  122.8267237 +1 -179.9987281 +1     2     1     3
  H     1.07255324 +1  129.5233209 +1  179.9973657 +1     3     2     4
  H     1.10065062 +1  112.2262464 +1  119.4432111 +1     6     5     4
  H     1.10076567 +1  112.2030243 +1  122.1378403 +1     6     5    10
  H     1.10762809 +1  110.3490142 +1  118.9029560 +1     6     5    11