(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

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Properties Simple | Detailed

Formula C22H22N4O4
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 406.435 g·mol−1
Heat of Formation -256.5 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 469.48 Å 3
Surface Area 398.09 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
InChIKey DEQWKXCCJFZIRL-NVMNQCDNSA-O
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