Geometry & MOs

Info

ID:	5385
PubChem CID:	13084
Reduced:	O2H5C7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	242.057909
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	1.77
IP(EA), eV:	-10.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-carboxyphenyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations