Geometry & MOs

Info

ID:	224219
PubChem CID:	85340182
Reduced:	ON2F3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	330.086764
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	3.96
IP(EA), eV:	-9.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3,4-difluorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NC(NC2=O)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations