Geometry & MOs

Info

ID:	212296
PubChem CID:	81060060
Reduced:	FSN3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	3.22
Dipole, Da:	2.91
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2=CC=CC=C2F

DOS

IR

Vibrations