Geometry & MOs

Info

ID:	13304
PubChem CID:	225165
Reduced:	BrO3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	229.95786
ΔH_f, kcal/mol:	-109.14
Dipole, Da:	6.87
IP(EA), eV:	-9.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CBr)C(=O)O)O

DOS

IR

Vibrations