Geometry & MOs

Info

ID:	21738
PubChem CID:	589716
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-157.49
Dipole, Da:	7.27
IP(EA), eV:	-10.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carboxypropan-2-yl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations