(1R,2S,10R,12S,13S,15R)-12-Cyano-10-(Hydroxymethyl)-8-Methoxy-16-Methyl-11,16-Diazatetracyclo[11.2.1.0~2,11~.0~4,9~]Hexadeca-4,6,8-Triene-15-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C19H23N3O4 |
| IUPAC Name | (1r,2s,10r,12s,13s,15r)-12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.0 2,11 .0 4,9 ]hexadeca-4,6,8-triene-15-carboxylic acid |
| Molecular Mass | 357.404 g·mol−1 |
| Heat of Formation | -460.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.30 ± 1.08 D |
| Volume | 419.55 Å 3 |
| Surface Area | 341.27 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | 3.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YGWHMSNGVVTUIT-BJXUOIJQSA-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 |