Geometry & MOs

Info

ID:	24947
PubChem CID:	615112
Reduced:	BrN2O2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	227.95344
ΔH_f, kcal/mol:	44.97
Dipole, Da:	6.36
IP(EA), eV:	-9.27(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-methoxy-2,1,3-benzoxadiazole

Drug info:

PubChemData

Smile

COC1=C(C2=NON=C2C=C1)Br

DOS

IR

Vibrations