Geometry & MOs

Info

ID:	288734
PubChem CID:	104324599
Reduced:	BrNO2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	307.02079
ΔH_f, kcal/mol:	7.83
Dipole, Da:	3.59
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromopentoxy)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OCCBr

DOS

IR

Vibrations