(3E)-4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-3-Buten-2-Yl Bromoacetate

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Properties Simple | Detailed

Formula C15H23BrO2
IUPAC Name [(e,1r)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl] 2-bromoacetate
Molecular Mass 315.246 g·mol−1
Heat of Formation -444.5 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 355.77 Å 3
Surface Area 297.32 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
InChIKey SCDBNWDJDBZRDB-ABZNLYFFSA-N
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Elements H C O Br