[3-(3,4-Dichlorophenyl)-1,2,3,4-Oxatriazol-3-Ium-5-Yl]Azanide
Properties
Property | Value |
---|---|
Formula | C7H4Cl2N4O |
IUPAC Name | 3-(3,4-dichlorophenyl)-1-oxa-2-aza-3-azonia-4-azanidacyclopent-2-en-5-imine |
Molecular Mass | 231.039 g·mol−1 |
Heat of Formation | 389.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.80 ± 1.08 D |
Volume | 225.06 Å 3 |
Surface Area | 218.94 Å 2 |
HOMO Energy | -9.50 ± 0.55 eV |
LUMO Energy | 0.87 ± eV |
Point Group Symmetry | Cs |
InChIKey | ZXNZYANFIUGVTK-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |