Geometry & MOs

Info

ID:	288735
PubChem CID:	104324602
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	261.053826
ΔH_f, kcal/mol:	-10.49
Dipole, Da:	3.45
IP(EA), eV:	-9.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-cyano-1-benzofuran-3-yl)oxy]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations