5-(2,5-Dimethyl-3-Thienyl)-1H-Pyrazole-3-Carboxamide

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Formula C10H11N3OS
IUPAC Name 5-(2,5-dimethyl-3h-thiophen-1-ium-3-id-4-yl)-4h-pyrazol-1-ium-4-ide-3-carboxamide
Molecular Mass 221.279 g·mol−1
Heat of Formation 45.9 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 255.78 Å 3
Surface Area 244.86 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey KLVHCUPVBQYXJT-UHFFFAOYSA-N
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