Geometry & MOs

Info

ID:	20660
PubChem CID:	585035
Reduced:	BrO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	305.98916
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	4.18
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations