Geometry & MOs

Info

ID:	133968
PubChem CID:	51621124
Reduced:	FNO5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	466.08969
ΔH_f, kcal/mol:	-112.28
Dipole, Da:	8.85
IP(EA), eV:	-9.71(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations