1αh,5αh-Tropan-3α-Yl 3,5-Dichlorobenzoate

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Properties Simple | Detailed

Formula C15H17Cl2NO2
IUPAC Name [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate
Molecular Mass 314.207 g·mol−1
Heat of Formation -343.3 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 356.53 Å 3
Surface Area 314.33 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey MNJNPLVXBISNSX-BTTYYORXSA-N
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Elements H C N O Cl