Geometry & MOs

Info

ID:	213799
PubChem CID:	81065011
Reduced:	FNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-204.64
Dipole, Da:	3.43
IP(EA), eV:	-9.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-methylpyridine-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations