[2-[(2-Methylenespiro[2.5]Octa-4,7-Dien-6-Ylidene)-[4-(4-Nitrophenyl)Pyrazine-1,4-Diium-1-Yl]Methyl]-3-Oxo-Prop-2-Enoyl]-(Oxomethylene)Ammonium

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Properties Simple | Detailed

Formula C24H16N4O5++
IUPAC Name [2-[(2-methylenespiro[2.5]octa-4,7-dien-6-ylidene)-[4-(4-nitrophenyl)pyrazine-1,4-diium-1-yl]methyl]-3-oxo-prop-2-enoyl]-(oxomethylene)ammonium
Molecular Mass 440.408 g·mol−1
Heat of Formation 3608.8 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 475.26 Å 3
Surface Area 417.91 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -2.86 ± eV
Point Group Symmetry C1
InChIKey VWJFDSFQMZGQHZ-MHZLTWQESA-N
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