Geometry & MOs

Info

ID:	36967
PubChem CID:	8015477
Reduced:	ON2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	396.104571
ΔH_f, kcal/mol:	18.27
Dipole, Da:	3.74
IP(EA), eV:	-8.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)CNC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations