Geometry & MOs

Info

ID:	213200
PubChem CID:	81063151
Reduced:	ClFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-175.78
Dipole, Da:	3.78
IP(EA), eV:	-10.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=C(C=C1)F)Cl

DOS

IR

Vibrations