Diethyl 4-[4-(1H-Imidazol-1-Yl)Phenyl]-2,6-Dimethyl-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Properties Simple | Detailed

Formula C22H25N3O4
IUPAC Name diethyl 4-[4-(4h-imidazol-3-ium-4-ylium-3-yl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 395.452 g·mol−1
Heat of Formation -501.4 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 476.79 Å 3
Surface Area 389.27 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
  • 4-[4-(1-imidazolyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
  • diethyl 4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey YQKJDJKRFKYJSQ-UHFFFAOYSA-N
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