2-[Benzyl(Methyl)Amino]Ethyl Methyl (4R)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Properties Simple | Detailed

Formula C26H28N3O6
IUPAC Name methanone; 2-[methyl(phenylmethyl)amino]ethyl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-5-(oxomethylene)-4h-pyridin-1-ium-3-ide-3-carboxylate
Molecular Mass 478.517 g·mol−1
Heat of Formation -540.0 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 572.84 Å 3
Surface Area 417.55 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-[2-(benzyl-methyl-amino)ethyl] o5-methyl ester
  • (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o5-methyl o3-[2-(methyl-(phenylmethyl)amino)ethyl] ester
  • o5-methyl o3-[2-(methyl-(phenylmethyl)amino)ethyl] (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey ZBBHBTPTTSWHBA-XMMPIXPASA-N
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