(4E)-4-[(2Z)-2-{5-[(E)-2-(4-Hydroxy-3-Methoxyphenyl)Vinyl]-1-Phenyl-1,2-Dihydro-3H-Pyrazol-3-Ylidene}Ethylidene]-2-Methoxy-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C27H24N2O4
IUPAC Name (4e)-4-[(2e)-2-[3-[(e)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-2-phenyl-1h-pyrazol-5-ylidene]ethylidene]-2-methoxy-cyclohexa-2,5-dien-1-one
Molecular Mass 440.490 g·mol−1
Heat of Formation 50.4 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 529.65 Å 3
Surface Area 462.86 Å 2
HOMO Energy -7.75 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
InChIKey CYECQYVOEUTJFT-QNDOJZANSA-N
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