4-[5-(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyridinyl)-1H-1,2,4-Triazol-3-Yl]-6-Oxo-1,6-Dihydro-2-Pyridinecarbonitrile

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Properties Simple | Detailed

Formula C13H8N6O3+
IUPAC Name 4-[5-(2,6-dioxo-1,2,3,6-tetrahydro-4-pyridinyl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydro-2-pyridinecarbonitrile
Molecular Mass 296.241 g·mol−1
Heat of Formation 12.3 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 319.96 Å 3
Surface Area 300.92 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry Cs
InChIKey YUNURAZDMHEFGV-UHFFFAOYSA-O
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