Methyl (5E)-5-[3-{[Benzyl(Methyl)Amino]Methyl}-1,2,4-Oxadiazol-5(2H)-Ylidene]-2,6-Dimethyl-4-(3-Nitrophenyl)-4,5-Dihydro-3-Pyridinecarboxylate

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Properties Simple | Detailed

Formula C26H29N5O5+
IUPAC Name methyl (4s)-5-[3-[[benzyl(methyl)amino]methyl]-1-oxa-2-aza-4-azoniacyclopenta-3,4-dien-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-4h-pyridin-1-ium-3,5-diide-3-carboxylate
Molecular Mass 491.539 g·mol−1
Heat of Formation 23.1 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 576.68 Å 3
Surface Area 473.31 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey DPYRNTUQNSBTNJ-JRURIKFDSA-N
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