(3E)-1-[(1S)-1-(4-Fluorphenyl)Ethyl]-3-[3-Methoxy-4-(4-Methyl-1H-Imidazol-1-Yl)Benzyliden]Piperidin-2-On

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Properties Simple | Detailed

Formula C25H26FN3O2
IUPAC Name (3e)-1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(5-methyl-4h-imidazol-3-ium-4-ylium-3-yl)phenyl]methylene]piperidin-2-one
Molecular Mass 419.491 g·mol−1
Heat of Formation -197.0 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 503.19 Å 3
Surface Area 433.32 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzylidene]-2-piperidone
  • (3e)-1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]methylene]-2-piperidinone
  • (3e)-1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylene]piperidin-2-one
  • (3e)-1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
InChIKey PUOAETJYKQITMO-LANLRWRYSA-N
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