4-[4-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-1,2-Dihydro-3H-Pyrazol-3-Ylidene]-3-Hydroxy-2,5-Cyclohexadien-1-One
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |