O3-Ethyl O5-Methyl (4S)-2-(4H-Imidazol-1-Ium-4-Id-3-Ylmethyl)-6-Methyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate

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Properties Simple | Detailed

Formula C21H23N4O6
IUPAC Name o3-ethyl o5-methyl (4s)-2-(4h-imidazol-1-ium-4-id-3-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 427.430 g·mol−1
Heat of Formation -467.4 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 500.92 Å 3
Surface Area 384.27 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
InChIKey CEQWVKIKJRQBNT-SFHVURJKSA-N
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