Geometry & MOs

Info

ID:	23022
PubChem CID:	600889
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-166.56
Dipole, Da:	4.34
IP(EA), eV:	-10.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-carboxyethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations