N-{3-[5-(1H-1,2,4-Triazol-3-Yl)-1H-Indazol-3-Yl]Phenyl}-2-Furamide

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Properties Simple | Detailed

Formula C20H14N6O2
IUPAC Name n-[3-[5-(2-aza-1-azonia-4-azanidacyclopenta-2,5-dien-3-yl)indazol-1-ium-7a-ylium-3-yl]phenyl]furan-2-carboxamide
Molecular Mass 370.364 g·mol−1
Heat of Formation 421.8 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 410.68 Å 3
Surface Area 376.79 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey LMDMJDCLPIVGQD-UHFFFAOYSA-N
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