Geometry & MOs

Info

ID:	373390
PubChem CID:	131314479
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	262.99458
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	3.39
IP(EA), eV:	-8.77(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-1-benzofuran-2-yl)butanenitrile

Drug info:

PubChemData

Smile

CC(C)(CC#N)C1=C(C(=C(C=C1)OC)O)F

DOS

IR

Vibrations