Geometry & MOs

Info

ID:	13233
PubChem CID:	223659
Reduced:	BrINO2H5C7 (1)
Stoich.:	ABCD2E5F7 (1)
Weight, g/mol:	340.85484
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	2.89
IP(EA), eV:	-9.21(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-3-iodobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)N)I)Br

DOS

IR

Vibrations