(4E)-2-Iodo-4-[6-(4-Methyl-1-Piperazinyl)-1',3'-Dihydro-1H,2'H-2,5'-Bibenzimidazol-2'-Ylidene]-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C25H24IN6O
IUPAC Name (4z)-2-iodo-4-[5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-3-ium-6-id-2-yl]benzimidazole-1,3-diium-2-ylidene]cyclohexa-2,5-dien-1-one
Molecular Mass 551.402 g·mol−1
Heat of Formation 522.3 ± 16.7 kJ·mol−1
Dipole Moment 12.21 ± 1.08 D
Volume 536.41 Å 3
Surface Area 475.62 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
InChIKey ZIZURNQOGKSUHV-IWIPYMOSSA-N
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