1-Oxo-1,2,4-Benzotriazin-1-Ium-2-Id-3-Amine
Properties
Property | Value |
---|---|
Formula | C7H6N4O |
IUPAC Name | 1-oxo-1,2,4-benzotriazin-1-ium-2-id-3-amine |
Molecular Mass | 162.149 g·mol−1 |
Heat of Formation | 298.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.33 ± 1.08 D |
Volume | 175.0 Å 3 |
Surface Area | 177.43 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 1.78 ± eV |
Point Group Symmetry | Cs |
InChIKey | BUKAHLGAMDVDPA-UHFFFAOYSA-N |
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Elements | H C O N |