5-{3-[2-(1,3-Dihydroxy-2-Propanyl)-5-Methyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl]-1,2,4-Oxadiazol-5-Yl}-2-Isopropoxybenzonitrile
Properties
Property | Value |
---|---|
Formula | C25H28N4O4 |
IUPAC Name | 5-[3-[2-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-methyl-3,4-dihydro-1h-isoquinolin-6-yl]-1,2,4-oxadiazol-5-yl]-2-isopropoxy-benzonitrile |
Molecular Mass | 448.514 g·mol−1 |
Heat of Formation | -204.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.74 ± 1.08 D |
Volume | 534.69 Å 3 |
Surface Area | 467.96 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 1.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | GOJFPSNMWCYOTJ-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 |