(1S,3As,4R,8As,8Br)-4-[4-(Diaminomethyl)Phenyl]-1-(Difluoromethyl)-2-(4-Fluorobenzyl)Octahydropyrrolo[3,4-A]Pyrrolizin-3(2H)-One
Properties
| Property | Value |
|---|---|
| Formula | C24H27F3N4O |
| IUPAC Name | (1s,3as,4r,5s,8as,8br)-4-[4-(diaminomethyl)phenyl]-1-(difluoromethyl)-2-[(4-fluorophenyl)methyl]-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-3-one |
| Molecular Mass | 444.493 g·mol−1 |
| Heat of Formation | -577.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.88 ± 1.08 D |
| Volume | 515.69 Å 3 |
| Surface Area | 386.89 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -0.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VPNYXOTTXAXSIH-SXYSDOLCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |