[(4Z)-6-Isopropyl-4-[4-(1-Methylindol-1-Ium-5-Yl)-5-Oxo-Blahcyclopent-3-Ylidene]-3-Oxo-Cyclohexa-1,5-Dien-1-Yl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C20H21N4O6P
IUPAC Name [(4z)-6-isopropyl-4-[4-(1-methylindol-1-ium-5-yl)-5-oxo-blahcyclopent-3-ylidene]-3-oxo-cyclohexa-1,5-dien-1-yl] dihydrogen phosphate
Molecular Mass 444.378 g·mol−1
Heat of Formation -974.8 ± 16.7 kJ·mol−1
Dipole Moment 8.18 ± 1.08 D
Volume 495.13 Å 3
Surface Area 393.73 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey NEIJAMJWJGSJAC-XDJHFCHBSA-N
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