Geometry & MOs

Info

ID:	214053
PubChem CID:	81065937
Reduced:	N2O2F3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-231.1
Dipole, Da:	3.56
IP(EA), eV:	-9.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=CC=CC(=N1)C(F)(F)F

DOS

IR

Vibrations