3-Ethyl 5-Methyl 2-(1H-Imidazol-1-Ylmethyl)-6-Methyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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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 427.431 g·mol−1
Heat of Formation -474.5 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 488.98 Å 3
Surface Area 400.49 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey BFLKGKGRZKABHQ-SFHVURJKSA-N
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