Geometry & MOs

Info

ID:	288727
PubChem CID:	104324530
Reduced:	IN2O2H9C15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	298.050905
ΔH_f, kcal/mol:	58.74
Dipole, Da:	4.27
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-6-chlorophenyl)methoxy]-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OC3=C(C=C(C=C3)N)I

DOS

IR

Vibrations