O3-Methyl O5-[6-(5-Phenylpyrazol-1-Ium-5-Ylium-3-Yl)Oxyhexyl] (4R)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate

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Formula C31H34N4O7
IUPAC Name o3-methyl o5-[6-(5-phenylpyrazol-1-ium-5-ylium-3-yl)oxyhexyl] (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 574.624 g·mol−1
Heat of Formation -563.8 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 681.23 Å 3
Surface Area 536.1 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey FPHSGIIDAJLVTG-GDLZYMKVSA-N
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