Geometry & MOs

Info

ID:	321922
PubChem CID:	126667386
Reduced:	NO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	279.053158
ΔH_f, kcal/mol:	-33.62
Dipole, Da:	7.84
IP(EA), eV:	-9.67(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=C2C3=CC(=C(C=C3)C(=O)O)O)C#N

DOS

IR

Vibrations