(3E)-3-Imino-1,2,4-Benzotriazin-4(3H)-Ol 1-Oxide

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Properties Simple | Detailed

Formula C7H7N4O2+
IUPAC Name (4-hydroxy-1-oxo-1,2,4-benzotriazine-1,4-diium-2-id-3-yl)azanide
Molecular Mass 179.156 g·mol−1
Heat of Formation 308.7 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 187.17 Å 3
Surface Area 184.69 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
InChIKey QVMPZNRFXAKISM-BQYQJAHWSA-N
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