Geometry & MOs

Info

ID:	194584
PubChem CID:	78558723
Reduced:	NCl2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	347.092923
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	2.46
IP(EA), eV:	-8.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations