(6E)-6-[{[(2R)-1-(1H-Imidazol-5-Yl)-2-Propanyl]Amino}(Phenyl)Methylene]-2,4-Cyclohexadien-1-One

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Formula C19H19N3O
IUPAC Name (6e)-6-[[[(1r)-2-(1h-imidazol-5-yl)-1-methyl-ethyl]amino]-phenyl-methylene]cyclohexa-2,4-dien-1-one
Molecular Mass 305.374 g·mol−1
Heat of Formation 196.6 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 379.48 Å 3
Surface Area 322.32 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (6e)-6-[[[(1r)-2-(3h-imidazol-4-yl)-1-methyl-ethyl]amino]-phenyl-methylene]cyclohexa-2,4-dien-1-one
  • (6e)-6-[[[(1r)-2-(3h-imidazol-4-yl)-1-methylethyl]amino]-phenylmethylene]-1-cyclohexa-2,4-dienone
  • (6e)-6-[[[(2r)-1-(3h-imidazol-4-yl)propan-2-yl]amino]-phenyl-methylidene]cyclohexa-2,4-dien-1-one
  • (6e)-6-[[[(2r)-1-(3h-imidazol-4-yl)propan-2-yl]amino]-phenylmethylidene]cyclohexa-2,4-dien-1-one
InChIKey NDSIMLLWOSEGGX-UFOSLELVSA-N
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