Methyl (1R,2S,16E)-16-Ethylidene-2-(Hydroxymethyl)-4,14-Diazatetracyclo[12.2.2.0~3,11~.0~5,10~]Octadeca-3(11),5,7,9-Tetraene-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C21H26N2O3 |
| IUPAC Name | methyl (1r,2s,16e)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.0 3,11 .0 5,10 ]octadeca-3(11),5,7,9-tetraene-2-carboxylate |
| Molecular Mass | 354.443 g·mol−1 |
| Heat of Formation | -347.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.64 ± 1.08 D |
| Volume | 418.59 Å 3 |
| Surface Area | 329.24 Å 2 |
| HOMO Energy | -8.03 ± 0.55 eV |
| LUMO Energy | 0.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MBXJCHZRHROMQA-YVDMJPQFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem Wikipedia ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |