(1S,3R)-1,3-Bis(Hydroxymethyl)-7-Methoxy-6-Methyl-1,2,3,4-Tetrahydro-8-Isoquinolinol
Properties
Property | Value |
---|---|
Formula | C13H19NO4 |
IUPAC Name | (1r,3s)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol |
Molecular Mass | 253.294 g·mol−1 |
Heat of Formation | -692.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.93 ± 1.08 D |
Volume | 303.92 Å 3 |
Surface Area | 267.75 Å 2 |
HOMO Energy | -9.21 ± 0.55 eV |
LUMO Energy | -0.49 ± eV |
Point Group Symmetry | C1 |
InChIKey | YZJBKEBOMYOVHX-UWVGGRQHSA-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 |