Geometry & MOs

Info

ID:	373397
PubChem CID:	131314650
Reduced:	BrNO2H6C10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	250.95819
ΔH_f, kcal/mol:	13.66
Dipole, Da:	6.16
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-hydroxy-1-benzofuran-6-yl)acetonitrile

Drug info:

PubChemData

Smile

COC1=C(OC2=C1C=CC(=C2)Br)C#N

DOS

IR

Vibrations