4-[4-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-1,2-Dihydro-3H-Pyrazol-3-Ylidene]-3-Hydroxy-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C17H14N2O4
IUPAC Name (4z)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-1,2-diium-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one
Molecular Mass 310.304 g·mol−1
Heat of Formation -203.0 ± 16.7 kJ·mol−1
Dipole Moment 9.31 ± 1.08 D
Volume 343.92 Å 3
Surface Area 306.86 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey QDXWADNLKFCSCH-ATVHPVEESA-N
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