Geometry & MOs

Info

ID:	288758
PubChem CID:	104325184
Reduced:	NO3H9C16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	263.058243
ΔH_f, kcal/mol:	16.15
Dipole, Da:	4.77
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-formylphenoxy)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)OC2=C(OC3=CC=CC=C32)C#N

DOS

IR

Vibrations