Geometry & MOs

Info

ID:	291964
PubChem CID:	113995623
Reduced:	BrNOH4C6 (2)
Stoich.:	ABCD4E6 (2)
Weight, g/mol:	469.76455
ΔH_f, kcal/mol:	-1.86
Dipole, Da:	7.12
IP(EA), eV:	-9.31(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-4-[(4-bromothiophen-2-yl)methoxy]benzoic acid

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)COC2=C(C=C(C=C2Br)C=O)Br

DOS

IR

Vibrations