Geometry & MOs

Info

ID:	7247
PubChem CID:	71697
Reduced:	ClO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	304.086622
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	5.56
IP(EA), eV:	-9.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations