Geometry & MOs

Info

ID:	288728
PubChem CID:	104324542
Reduced:	ClN2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	298.050905
ΔH_f, kcal/mol:	23.29
Dipole, Da:	5.39
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-5-chlorophenyl)methoxy]-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OCC3=C(C=CC=C3Cl)N

DOS

IR

Vibrations