Geometry & MOs

Info

ID:	291966
PubChem CID:	113995641
Reduced:	NBr2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	379.90818
ΔH_f, kcal/mol:	-142.81
Dipole, Da:	4.33
IP(EA), eV:	-10.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-4-(oxolan-2-ylmethoxy)benzoic acid

Drug info:

PubChemData

Smile

CC(COC1=C(C=C(C=C1Br)C(=O)O)Br)C(=O)N

DOS

IR

Vibrations