Geometry & MOs

Info

ID:	10268
PubChem CID:	99570
Reduced:	BrO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	213.96294
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	3.75
IP(EA), eV:	-10.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations