Geometry & MOs

Info

ID:	373396
PubChem CID:	131314624
Reduced:	OF2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	250.95819
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	3.46
IP(EA), eV:	-10.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-methoxy-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](CO)N)C#N)C(F)F

DOS

IR

Vibrations