(2Z)-4,6-Dihydroxy-2-{[1-Methyl-4-(4-Methyl-1-Piperazinyl)-1H-Pyrrolo[2,3-B]Pyridin-3-Yl]Methylene}-1-Benzofuran-3(2H)-One

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Properties Simple | Detailed

Formula C22H23N4O4
IUPAC Name (2z)-4,6-dihydroxy-2-[[1-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-7-ium-3a-id-3-yl]methylene]benzofuran-3-one
Molecular Mass 407.442 g·mol−1
Heat of Formation -254.7 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 464.18 Å 3
Surface Area 394.85 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
InChIKey RLZIWQDVHJTWEF-NVMNQCDNSA-N
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