Geometry & MOs

Info

ID:	206819
PubChem CID:	80306088
Reduced:	FN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-219.02
Dipole, Da:	2.39
IP(EA), eV:	-9.66(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluoro-4-methylphenyl)ethylcarbamoyl-methylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC(=O)NC(CCO)C(=O)O)F

DOS

IR

Vibrations