2-Chloro-6-(1H-1,2,4-Triazol-3-Yl)Pyrazine

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Properties Simple | Detailed

Formula C6H4ClN5
IUPAC Name 2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-3-yl)-6-chloro-pyrazine
Molecular Mass 181.582 g·mol−1
Heat of Formation 410.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 186.49 Å 3
Surface Area 188.72 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry Cs
InChIKey KOARCKONUFDYQJ-UHFFFAOYSA-N
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Elements H C N Cl