Triptobenzene N

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Properties Simple | Detailed

Formula C20H26O3
IUPAC Name (1s,4as,10ar)-1-(hydroxymethyl)-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
Molecular Mass 314.419 g·mol−1
Heat of Formation -585.4 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 391.95 Å 3
Surface Area 322.77 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,10ar)-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
  • (1s,4as,10ar)-1-(hydroxymethyl)-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
  • (1s,4as,10ar)-7-isopropyl-1,4a-dimethyl-1-methylol-3,4,10,10a-tetrahydrophenanthrene-2,9-quinone
InChIKey AILBGNUDAQUSML-MISYRCLQSA-N
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