Geometry & MOs

Info

ID:	321930
PubChem CID:	126667400
Reduced:	N2F3O3H9C18 (1)
Stoich.:	A2B3C3D9E18 (1)
Weight, g/mol:	323.079373
ΔH_f, kcal/mol:	-181.31
Dipole, Da:	6.66
IP(EA), eV:	-9.76(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyano-2,2-dimethyl-3-oxo-1-benzofuran-7-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C3C(=CC(=C2)C#N)C=CC(=N3)C(F)(F)F)O)C(=O)O

DOS

IR

Vibrations