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Formula C12H14N4O
IUPAC Name 3-(1-ethylpropyl)-5-ethynyl-imidazo[4,5-b]pyrazine-4,7-diium-2-one
Molecular Mass 230.266 g·mol−1
Heat of Formation 218.7 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 286.98 Å 3
Surface Area 260.93 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry Cs
InChIKey RSQGZEAXODVTOL-UHFFFAOYSA-P
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