Geometry & MOs

Info

ID:	321971
PubChem CID:	126667588
Reduced:	N2F3O3H11C18 (1)
Stoich.:	A2B3C3D11E18 (1)
Weight, g/mol:	310.07537
ΔH_f, kcal/mol:	-193.77
Dipole, Da:	8.38
IP(EA), eV:	-9.56(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-cyano-3-fluoro-1-methylindol-4-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CN1C2=CC(=CC(=C2C=C1C(F)(F)F)C3=CC(=C(C=C3)C(=O)O)O)C#N

DOS

IR

Vibrations