(1S,3S)-1-(3-{[4-(2-Fluorophenyl)-1-Piperazinyl]Methyl}-4-Methoxyphenyl)-2,3,4,9-Tetrahydro-1H-β-Carboline-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C30H31FN4O3 |
| IUPAC Name | (1s,3s)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-2-ium-3-carboxylate |
| Molecular Mass | 514.591 g·mol−1 |
| Heat of Formation | -225.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.62 ± 1.08 D |
| Volume | 608.09 Å 3 |
| Surface Area | 477.23 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | 2.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FUHCEERDBRGPQZ-LSYYVWMOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |