O5-Ethyl O3-Methyl (4R)-2,6-Dimethyl-4-(3-Nitrophenyl)-1-Prop-2-Ynyl-4H-Pyridine-3,5-Dicarboxylate

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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 -386.2 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 439.29 Å 3
Surface Area 333.42 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey NOEDZCABGPSSJV-LJQANCHMSA-N
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