[4-Methyl-6-(3-Nitrophenyl)-2-Phenyl-Pyrimidine-1,3-Diium-5-Id-5-Yl]-(4-Methylpiperazin-1-Yl)Methanone

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Formula C23H24N5O3
IUPAC Name [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-1,3-diium-5-id-5-yl]-(4-methylpiperazin-1-yl)methanone
Molecular Mass 418.468 g·mol−1
Heat of Formation 153.7 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 494.13 Å 3
Surface Area 408.55 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey MZDJOBGPLALFLT-UHFFFAOYSA-N
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