Accuracy

2-methyl-1h-isoindole-1,3(2h)-dione   1098 2-Methyl-1H-isoindole-1,3(2H)-dione

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

   

    #  Species Formula
  1088 p-Aminobenzoic acidC7H7NO2
  1089 p-NitrotolueneC7H7NO2
  1090 PhenylnitromethaneC7H7NO2
  1091 Salicylaldoxime (Geo)C7H7NO2
  1092 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1093 2-Amino-2-phenylacetic acidC8H9NO2
  1094 2-Nitro-m-xyleneC8H9NO2
  1095 2,6-DimethylnitrobenzeneC8H9NO2
  1096 N-PhenylglycineC8H9NO2
  1097 8-Aminocaprylic acidC8H17NO2
  1098 2-Methyl-1H-isoindole-1,3(2H)-dione C9H7NO2
  1099 NitromesityleneC9H11NO2
  1100 PhenylalanineC9H11NO2
  1101 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1102 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1103 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1104 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1105 1-Nitroso-2-naphthalenolC10H7NO2
  1106 1-Nitroso-4-naphthalenolC10H7NO2
  1107 2-Nitroso-1-naphthalenolC10H7NO2
  1108 N,N-Dimethyl 4-methoxybenzamideC10H13NO2


ΔHf: -55.9 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.
  

2-Methyl-1H-isoindole-1,3(2H)-dione
 H=-55.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38779386 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40886591 +1  121.1055966 +1    0.0000000 +0     2     1     0
  C     1.37360092 +1  117.5108211 +1   -0.0024249 +1     3     2     1
  C     1.41473205 +1  121.3694739 +1    0.0065897 +1     4     3     2
  C     1.37359769 +1  121.3571437 +1   -0.0104976 +1     5     4     3
  C     1.49565463 +1  108.4086938 +1 -179.9989829 +1     5     4     6
  N     1.41944655 +1  105.4469325 +1    0.0296347 +1     7     5     4
  C     1.41989192 +1  112.3333487 +1   -0.0284815 +1     8     7     5
  O     1.19869412 +1  124.1831301 +1 -179.9877011 +1     9     8     7
  O     1.19898134 +1  130.3228666 +1 -179.9953702 +1     7     5     8
  C     1.45390233 +1  124.1936712 +1 -179.9713444 +1     8     7     9
  H     1.09029116 +1  119.9109107 +1  179.9940809 +1     1     2     3
  H     1.09021713 +1  119.9450404 +1 -179.9995386 +1     2     1     3
  H     1.09018776 +1  120.9801623 +1 -179.9996062 +1     3     2     4
  H     1.09020713 +1  121.4966514 +1 -179.9824242 +1     6     5     4
  H     1.10605501 +1  110.5803376 +1  120.3325803 +1    12     8     7
  H     1.10605367 +1  110.5744231 +1  119.7391984 +1    12     8    17
  H     1.10683469 +1  110.3247607 +1  120.1184564 +1    12     8    18