N-(3-Methyl-1,2-Thiazol-5-Yl)-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8-Amine

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Properties Simple | Detailed

Formula C13H12N7S+
IUPAC Name 3-methyl-n-[3-(3h-pyrazol-2-ium-3-ylium-4-yl)-2h-imidazo[1,2-a]pyrazin-4-ium-2-ylium-8-yl]isothiazol-5-amine
Molecular Mass 298.346 g·mol−1
Heat of Formation 614.6 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 321.1 Å 3
Surface Area 298.12 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
InChIKey XWFNCZUACYBPGT-UHFFFAOYSA-N
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Elements H C S N