2-(2-Pyridinyl)Ethyl 4-(2-Chlorophenyl)-2,6-Dimethyl-5-(Phenylcarbamoyl)-1,4-Dihydro-3-Pyridinecarboxylate

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Properties Simple | Detailed

Formula C28H17ClN3O3
IUPAC Name 4-(2-chlorophenyl)-6-hexa-1,4-diynyl-3-(oxomethylene)-2-[2-(2-pyridyl)ethynoxymethyl]-7h-pyrrolo[3,4-b]pyridin-1-ium-5-one
Molecular Mass 478.906 g·mol−1
Heat of Formation 3950.7 ± 16.7 kJ·mol−1
Dipole Moment 9.22 ± 1.08 D
Volume 443.18 Å 3
Surface Area 373.13 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -3.64 ± eV
Point Group Symmetry C1
InChIKey YGKDFWHVQNDMLG-AREMUKBSSA-N
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Elements C N O Cl