Methyl 1-(7-Phenylheptyl)-1A,2,2A,5,5A,7A,7B,7C-Octahydro-1H-Cyclobuta[Bc]Acenaphthylene-5-Carboxylate

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Formula C28H36O2
IUPAC Name methyl 1-(7-phenylheptyl)-1a,2,2a,5,5a,7a,7b,7c-octahydro-1h-cyclobuta[bc]acenaphthylene-5-carboxylate
Molecular Mass 404.584 g·mol−1
Heat of Formation -260.1 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 531.14 Å 3
Surface Area 464.2 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
InChIKey OVQNZDVEWYMACH-SVIYCKGTSA-N
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