Geometry & MOs

Info

ID:	4709
PubChem CID:	11897
Reduced:	O2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	150.06808
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	5.87
IP(EA), eV:	-9.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations