6-{[6-(1-Methyl-1H-Pyrazol-4-Yl)Imidazo[1,2-B]Pyridazin-3-Yl]Methyl}Quinoline

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Properties Simple | Detailed

Formula C20H16N6
IUPAC Name 6-[[6-(1-methylpyrazol-1-ium-2-id-4-yl)-8h-imidazo[1,2-b]pyridazine-1,4-diium-3,8-diid-3-yl]methyl]quinolin-1-ium-4a-ide
Molecular Mass 340.381 g·mol−1
Heat of Formation 723.6 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 400.69 Å 3
Surface Area 355.06 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey RNCNPRCUHHDYPC-UHFFFAOYSA-N
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Elements H C N