(5S)-5-(Hydroxymethyl)-2-Methyl-5,8-Dihydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazine-1,3(2H)-Dione
Properties
Property | Value |
---|---|
Formula | C8H11N3O3 |
IUPAC Name | (8s)-8-(hydroxymethyl)-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione |
Molecular Mass | 197.191 g·mol−1 |
Heat of Formation | -330.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.56 ± 1.08 D |
Volume | 221.19 Å 3 |
Surface Area | 210.41 Å 2 |
HOMO Energy | -9.61 ± 0.55 eV |
LUMO Energy | 3.15 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | YXLVIORYJGPOCZ-LURJTMIESA-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 |