Geometry & MOs

Info

ID:	22276
PubChem CID:	596506
Reduced:	NO3F4H5C9 (1)
Stoich.:	AB3C4D5E9 (1)
Weight, g/mol:	251.020556
ΔH_f, kcal/mol:	-299.74
Dipole, Da:	4.83
IP(EA), eV:	-10.25(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations