Geometry & MOs

Info

ID:	261844
PubChem CID:	103254989
Reduced:	NO2F3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	285.061278
ΔH_f, kcal/mol:	-179.68
Dipole, Da:	3.9
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(2,4,6-trifluoroanilino)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)O)CNC2=C(C=C(C=C2F)F)F

DOS

IR

Vibrations