Methyl (2S)-3-[4-(~76~Br)Bromophenyl]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Formula C16H20BrNO2
IUPAC Name methyl (1r,2s,3s,5s)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Mass 338.240 g·mol−1
Heat of Formation -262.5 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 358.03 Å 3
Surface Area 296.74 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
InChIKey HNVGNUVAMRLMSG-YJNKXOJESA-N
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Elements H C O Br N