Geometry & MOs

Info

ID:	20650
PubChem CID:	585015
Reduced:	BrO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	305.98916
ΔH_f, kcal/mol:	-68.32
Dipole, Da:	6.49
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromophenoxy)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)O)Br

DOS

IR

Vibrations