Geometry & MOs

Info

ID:	321923
PubChem CID:	126667387
Reduced:	NO4H9C16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	278.069142
ΔH_f, kcal/mol:	-64.16
Dipole, Da:	5.7
IP(EA), eV:	-9.78(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C3=CC(=C(C=C3)C(=O)O)O)OC=C2C#N

DOS

IR

Vibrations