5-(Hydroxymethyl)-8-(1H-Pyrrol-2-Yl)[1,2,4]Triazolo[4,3-A]Quinolin-1(2H)-One
Properties
Property | Value |
---|---|
Formula | C15H12N4O2 |
IUPAC Name | 5-(hydroxymethyl)-8-(1h-pyrrol-2-yl)-2h-[1,2,4]triazolo[4,3-a]quinolin-1-one |
Molecular Mass | 280.281 g·mol−1 |
Heat of Formation | 2032.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.78 ± 1.08 D |
Volume | 303.82 Å 3 |
Surface Area | 281.84 Å 2 |
HOMO Energy | -9.32 ± 0.55 eV |
LUMO Energy | -3.77 ± eV |
Point Group Symmetry | C1 |
InChIKey | FEKDFTQZRBQDGS-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |