3-Bromo-7-Oxabicyclo[4.1.0]Hepta-2,4-Diene

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Properties Simple | Detailed

Formula C6H5BrO
IUPAC Name (1r,6s)-4-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene
Molecular Mass 173.007 g·mol−1
Heat of Formation 102.4 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 145.47 Å 3
Surface Area 150.37 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey FVTNDWDQRAAPCD-RITPCOANSA-N
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Elements H C O Br