Geometry & MOs

Info

ID:	291968
PubChem CID:	113995653
Reduced:	Br2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	381.88745
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	6.85
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-4-(1-carboxypropoxy)benzoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)OC2=C(C=C(C=C2Br)C(=O)O)Br

DOS

IR

Vibrations