1-[3-Hydroxy-5-(Hydroxymethyl)-2-Methyl-4-Pyridinyl]-1,2,3,4-Tetrahydro-6,7-Isoquinolinediol
Properties
| Property | Value |
|---|---|
| Formula | C16H18N2O4 |
| IUPAC Name | (1s)-1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Molecular Mass | 302.325 g·mol−1 |
| Heat of Formation | -561.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.19 ± 1.08 D |
| Volume | 347.02 Å 3 |
| Surface Area | 296.91 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -0.48 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XGMGYAMJDYPOES-HNNXBMFYSA-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 |