Geometry & MOs

Info

ID:	128935
PubChem CID:	51063813
Reduced:	BrN2O3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	267.94835
ΔH_f, kcal/mol:	-18.51
Dipole, Da:	6.02
IP(EA), eV:	-10.3(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromophenyl)-1,2,4-oxadiazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=NO2)C(=O)O)Br

DOS

IR

Vibrations