2-Chlor-10-(3-(Perhydropyrrolo(1,2-A)Pyrazin-2-Yl)Propionyl)Phenothiazin
Properties
Property | Value |
---|---|
Formula | C22H24ClN3OS |
IUPAC Name | 3-[(2s,5s,8as)-3,4,6,7,8,8a-hexahydro-1h-pyrrolo[1,2-a]pyrazin-2-yl]-1-(2-chlorophenothiazin-10-yl)propan-1-one |
Molecular Mass | 413.963 g·mol−1 |
Heat of Formation | 46.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.47 ± 1.08 D |
Volume | 474.78 Å 3 |
Surface Area | 391.44 Å 2 |
HOMO Energy | -8.36 ± 0.55 eV |
LUMO Energy | -0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZQTOZLYOIRKCPL-KRWDZBQOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |