5-Nitro-1,2-Dihydro-3H-1,2,4-Triazol-3-One
Properties
Property | Value |
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Formula | C2H2N4O3 |
IUPAC Name | 5-nitro-1,2,4-triazole-1,2-diium-3-one |
Molecular Mass | 130.062 g·mol−1 |
Heat of Formation | 112.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.42 ± 1.08 D |
Volume | 125.1 Å 3 |
Surface Area | 137.3 Å 2 |
HOMO Energy | -10.64 ± 0.55 eV |
LUMO Energy | 0.81 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | QJTIRVUEVSKJTK-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |