Geometry & MOs

Info

ID:	22449
PubChem CID:	597216
Reduced:	O3C9H10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	5.97
IP(EA), eV:	-9.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C(=O)O

DOS

IR

Vibrations