Geometry & MOs

Info

ID:	211711
PubChem CID:	81050181
Reduced:	FCl3H12C15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-47.55
Dipole, Da:	1.96
IP(EA), eV:	-9.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(CC2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations