Geometry & MOs

Info

ID:	212216
PubChem CID:	81059853
Reduced:	SF2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	3.2
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyano-2,6-dimethylpyridin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations