Geometry & MOs

Info

ID:	6733
PubChem CID:	69761
Reduced:	O3H12C14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-80.23
Dipole, Da:	2.58
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenoxymethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations