5-(1-Aziridinyl)-3-Nitro-1-(3-Oxo-1-Butyl)-1,2,4-Triazole
Properties
Property | Value |
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Formula | C8H11N5O3 |
IUPAC Name | 4-[5-(aziridin-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one |
Molecular Mass | 225.205 g·mol−1 |
Heat of Formation | 205.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.04 ± 1.08 D |
Volume | 259.51 Å 3 |
Surface Area | 254.3 Å 2 |
HOMO Energy | -10.57 ± 0.55 eV |
LUMO Energy | 2.25 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | IIBYIUDIVZPZKG-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 |