O3-[2-[Benzyl(Methyl)Amino]Ethyl] O5-Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)Pyridin-1-Ium-5-Ide-3,5-Dicarboxylate

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Formula C26H28N3O6
IUPAC Name o3-[2-[benzyl(methyl)amino]ethyl] o5-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridin-1-ium-5-ide-3,5-dicarboxylate
Molecular Mass 478.517 g·mol−1
Heat of Formation -496.0 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 561.87 Å 3
Surface Area 404.1 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey ZGJBOFNEJNDMSM-UHFFFAOYSA-N
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