Geometry & MOs

Info

ID:	30992
PubChem CID:	854053
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	2.18
IP(EA), eV:	-8.39(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-carboxyethyl)benzoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CO)OCC

DOS

IR

Vibrations