Geometry & MOs

Info

ID:	206556
PubChem CID:	80267920
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-169.71
Dipole, Da:	3.36
IP(EA), eV:	-10.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(2-fluoro-4-methylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations