[5-(6-Bromo[1,2,4]Triazolo[4,3-A]Pyridin-3-Yl)-2,4-Dihydroxyphenyl](4-Methyl-1-Piperazinyl)Methanone
Properties
Property | Value |
---|---|
Formula | C18H18BrN5O3 |
IUPAC Name | [5-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxy-phenyl]-(4-methylpiperazin-1-yl)methanone |
Molecular Mass | 432.271 g·mol−1 |
Heat of Formation | 1889.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.94 ± 1.08 D |
Volume | 394.41 Å 3 |
Surface Area | 349.07 Å 2 |
HOMO Energy | -8.65 ± 0.55 eV |
LUMO Energy | -2.77 ± eV |
Point Group Symmetry | Cs |
InChIKey | MORDYVAZUXQMHB-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Br O N |