Geometry & MOs

Info

ID:	24092
PubChem CID:	607823
Reduced:	BrON2H3C6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	197.94288
ΔH_f, kcal/mol:	83.16
Dipole, Da:	3.88
IP(EA), eV:	-9.93(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,1,3-benzoxadiazole

Drug info:

PubChemData

Smile

C1=CC2=NON=C2C(=C1)Br

DOS

IR

Vibrations