Geometry & MOs

Info

ID:	86496
PubChem CID:	49886254
Reduced:	NO2F6H7C10 (1)
Stoich.:	AB2C6D7E10 (1)
Weight, g/mol:	183.069557
ΔH_f, kcal/mol:	-382.82
Dipole, Da:	4.72
IP(EA), eV:	-10.02(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-3-methylanilino)acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)NCC(=O)O)C(F)(F)F

DOS

IR

Vibrations