Geometry & MOs

Info

ID:	212559
PubChem CID:	81060981
Reduced:	FSN3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	4.01
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2=CC=C(C=C2)F

DOS

IR

Vibrations