Carbon Dioxide; (4Z)-4-[(2E)-2-[2-(4-Hydroxy-3-Methoxy-Phenyl)Ethyliminio]Ethylidene]-3,5-Dihydropyridin-1-Ium-3-Ide-2-Carboxylate

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Properties Simple | Detailed

Formula C18H21N2O6
IUPAC Name (e)-2-[(2s)-2,6-dicarboxy-2,3-dihydropyridin-4-yl]ethylidene-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]ammonium
Molecular Mass 361.369 g·mol−1
Heat of Formation -808.9 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 428.69 Å 3
Surface Area 375.54 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey MLDNOXBFWYMRHZ-DYLGSBMWSA-N
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