(3S,4Ar,6S,8Ar)-6-[(~11~C)-2H-Tetrazol-5-Ylmethyl]Decahydro-3-Isoquinolinecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H19N5O2 |
| IUPAC Name | (3r,4as,6r,8as)-6-(2h-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid |
| Molecular Mass | 265.312 g·mol−1 |
| Heat of Formation | -169.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.99 ± 1.08 D |
| Volume | 319.25 Å 3 |
| Surface Area | 284.14 Å 2 |
| HOMO Energy | -9.39 ± 0.55 eV |
| LUMO Energy | -0.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ACTONBBIVMTUAJ-KATARQTJSA-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 |