2-[(1S,3R,5Ar,9S,9Ar)-1-Methoxy-3,4,4-Trimethyloctahydro-3,9A-Epidioxy-2-Benzoxepin-9(1H)-Yl]Ethanol

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Formula C16H28O5
IUPAC Name 2-[(1s,5ar,9s)-1-methoxy-3,4,4-trimethyloctahydro-3,9a-epidioxy-2-benzoxepin-9(1h)-yl]ethanol
Molecular Mass 300.391 g·mol−1
Heat of Formation -784.1 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 369.12 Å 3
Surface Area 299.76 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
InChIKey BCUBFQJBIVOSFG-KUCCMMOJSA-N
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