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

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Properties Simple | Detailed

Formula C22H22ClN3O
IUPAC Name 2-[(1r,3r,4s,5s,8r)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]-5-phenyl-1,3,4-oxadiazole
Molecular Mass 379.883 g·mol−1
Heat of Formation 189.1 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 449.41 Å 3
Surface Area 370.96 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey BTMJKIPIYJYOOV-FYQPLNBISA-N
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Elements H C N O Cl