Geometry & MOs

Info

ID:	261895
PubChem CID:	103257418
Reduced:	FNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	275.095771
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	1.9
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluoro-5-methoxyanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)COCCN[C@H](C)C1=CC=CC=C1F

DOS

IR

Vibrations