Geometry & MOs

Info

ID:	9404
PubChem CID:	89196
Reduced:	O2H4C5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	192.042259
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	0.47
IP(EA), eV:	-10.59(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-carboxyethenyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)O)C(=O)O

DOS

IR

Vibrations