Geometry & MOs

Info

ID:	194025
PubChem CID:	78471269
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	423.183931
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	3.77
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC

DOS

IR

Vibrations