4-(6-{[(2R)-1-Hydroxy-2-Butanyl]Amino}Imidazo[1,2-B]Pyridazin-3-Yl)Benzoic Acid

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Formula C17H18N4O3
IUPAC Name 4-[6-[[(1r)-1-(hydroxymethyl)propyl]amino]-2h-imidazo[1,2-b]pyridazin-4-ium-2-ylium-3-yl]benzoic acid
Molecular Mass 326.350 g·mol−1
Heat of Formation -171.8 ± 16.7 kJ·mol−1
Dipole Moment 7.21 ± 1.08 D
Volume 383.89 Å 3
Surface Area 335.73 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey KKZYGUVAFJCULH-CYBMUJFWSA-N
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