3-(4-Chlorophenyl)-8-Methyl-2-(3-Phenyl-1,2,4-Oxadiazol-5-Yl)-8-Azabicyclo[3.2.1]Octane

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Properties Simple | Detailed

Formula C22H22ClN3O
IUPAC Name 5-[(1r,3r,4s,5s,8r)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]-3-phenyl-1,2,4-oxadiazole
Molecular Mass 379.883 g·mol−1
Heat of Formation 241.5 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 450.75 Å 3
Surface Area 376.29 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey MLEBXCGNNIYOSJ-FYQPLNBISA-N
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Elements H C N O Cl