2-{2-[(3,4-Difluorophenoxy)Methyl]-5-Methoxy-4-Pyridinyl}-1,5,6,7-Tetrahydro-4H-Pyrrolo[3,2-C]Pyridin-4-One

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Properties Simple | Detailed

Formula C20H17F2N3O3
IUPAC Name 2-[2-[(3,4-difluorophenoxy)methyl]-5-methoxy-4-pyridyl]-6,7-dihydro-5h-pyrrolo[3,2-c]pyridin-1-ium-3a-id-4-one
Molecular Mass 385.364 g·mol−1
Heat of Formation -520.7 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 423.95 Å 3
Surface Area 385.5 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey GMIKNOQZLHKCFH-UHFFFAOYSA-N
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