Geometry & MOs

Info

ID:	4470
PubChem CID:	11456
Reduced:	BrO2H5C7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	199.94729
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	4.94
IP(EA), eV:	-10.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations