1-[(1R,2R,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Oct-2-Yl]-1-Propanone

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Properties Simple | Detailed

Formula C18H25NO
IUPAC Name 1-[(1s,3s,4r,5r,8s)-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
Molecular Mass 271.397 g·mol−1
Heat of Formation -178.0 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 356.32 Å 3
Surface Area 296.53 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey PZEAJTAVRYLBTK-BVIKNXMNSA-N
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