Geometry & MOs

Info

ID:	36969
PubChem CID:	8015482
Reduced:	FOCl2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	406.09303
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	3.49
IP(EA), eV:	-8.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)Cl)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations