Accuracy
2,6-diisopropylphenol
909 2,6-Diisopropylphenol
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Geometry predicted using PM7
ΔHf: -60.7 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
2,6-Diisopropylphenol
H=-60.73 HR=NIST
C 0.11668054 +1 -0.07657733 +1 0.15827429 +1
C 0.75002859 +1 0.16201459 +1 -1.21949009 +1
C 1.42679209 +1 1.50313368 +1 -1.27501394 +1
C 1.18419378 +1 2.37706818 +1 -2.34893630 +1
C 1.79685042 +1 3.63129509 +1 -2.45119507 +1
C 1.56964863 +1 4.57190098 +1 -3.60252420 +1
C 0.09098249 +1 4.96316270 +1 -3.72930020 +1
C 2.10911245 +1 3.96698026 +1 -4.90632200 +1
C 1.76985227 +1 -0.93867442 +1 -1.54663779 +1
C 2.32183793 +1 1.91140031 +1 -0.29105657 +1
C 2.94293256 +1 3.15767876 +1 -0.36659301 +1
C 2.67724967 +1 4.00858663 +1 -1.43392432 +1
O 0.31417939 +1 1.89859441 +1 -3.27839049 +1
H -0.54515781 +1 0.75234175 +1 0.43310209 +1
H 0.87235679 +1 -0.17082369 +1 0.94428145 +1
H -0.47873655 +1 -0.99574438 +1 0.16179884 +1
H -0.06851823 +1 0.12196807 +1 -1.98696122 +1
H 2.14493490 +1 5.51903386 +1 -3.41179751 +1
H -0.54960061 +1 4.12675112 +1 -4.03015077 +1
H -0.29705139 +1 5.33590062 +1 -2.77241866 +1
H -0.04223204 +1 5.75716175 +1 -4.47260604 +1
H 1.63096043 +1 3.01647495 +1 -5.16392217 +1
H 3.18493085 +1 3.76417489 +1 -4.82207980 +1
H 1.96692013 +1 4.65116628 +1 -5.74968821 +1
H 2.59138292 +1 -0.95555406 +1 -0.82322331 +1
H 2.20951522 +1 -0.78089765 +1 -2.53883846 +1
H 1.29733739 +1 -1.92585617 +1 -1.54358015 +1
H 2.54086944 +1 1.24953641 +1 0.54576932 +1
H 3.63944490 +1 3.46226913 +1 0.41037647 +1
H 3.16547616 +1 4.98132299 +1 -1.47784849 +1
H 0.14984576 +1 2.54920420 +1 -4.00982314 +1