1-Hydroxy-6-[1-(3-Methoxypropyl)-1H-Pyrrolo[2,3-B]Pyridin-5-Yl]-4-Phenyl-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C22H21N3O3+
IUPAC Name 1-hydroxy-6-[1-(3-methoxypropyl)-4h-pyrrolo[2,3-b]pyridin-1-ium-4-id-5-yl]-4-phenyl-3h-pyridin-1-ium-3-id-2-one
Molecular Mass 375.420 g·mol−1
Heat of Formation 5.2 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 447.38 Å 3
Surface Area 404.99 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
InChIKey MIWLVFZOCHMICD-UHFFFAOYSA-N
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