2-[(3S,5S,7S)-Adamantan-1-Yl]-4-Methylphenol

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Properties Simple | Detailed

Formula C17H22O
IUPAC Name 2-(1-adamantyl)-4-methyl-phenol
Molecular Mass 242.356 g·mol−1
Heat of Formation -230.8 ± 16.7 kJ·mol−1
Dipole Moment 1.07 ± 1.08 D
Volume 304.8 Å 3
Surface Area 261.43 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
InChIKey XHLJIHBDAJFXBE-ZZNDEYBLSA-N
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Elements H C O