Geometry & MOs

Info

ID:	318109
PubChem CID:	126648985
Reduced:	INO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	313.014185
ΔH_f, kcal/mol:	-150.13
Dipole, Da:	5.43
IP(EA), eV:	-9.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1I)C2=CC=CC=C2)C(=O)COC(=O)C3CCCN3C(=O)O

DOS

IR

Vibrations