Geometry & MOs

Info

ID:	6474
PubChem CID:	68715
Reduced:	ClO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	320.081537
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	3.66
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations