Geometry & MOs

Info

ID:	374308
PubChem CID:	131326499
Reduced:	BrON2H3C8 (1)
Stoich.:	ABC2D3E8 (1)
Weight, g/mol:	221.94288
ΔH_f, kcal/mol:	80.88
Dipole, Da:	4.08
IP(EA), eV:	-10.07(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1,2-benzoxazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=NO2)Br)C#N

DOS

IR

Vibrations