Geometry & MOs

Info

ID:	321975
PubChem CID:	126667629
Reduced:	NO4H11C17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	281.048821
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	5.76
IP(EA), eV:	-9.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyano-1-benzofuran-7-yl)-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C3C(=CC(=C2)C#N)C=CO3)C(=O)O

DOS

IR

Vibrations