Ethyl Methyl (4R)-2,6-Dimethyl-4-(3-Nitrophenyl)-1-(2-Propyn-1-Yl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Formula C21H22N2O6
IUPAC Name o5-ethyl o3-methyl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4h-pyridine-3,5-dicarboxylate
Molecular Mass 398.409 g·mol−1
Heat of Formation -382.9 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 433.86 Å 3
Surface Area 333.69 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4h-pyridine-3,5-dicarboxylic acid o3-ethyl o5-methyl ester
  • (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1-propargyl-4h-pyridine-3,5-dicarboxylic acid o3-ethyl o5-methyl ester
  • o3-ethyl o5-methyl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4h-pyridine-3,5-dicarboxylate
InChIKey BITHABUTZRAUGT-LJQANCHMSA-N
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