Geometry & MOs

Info

ID:	212457
PubChem CID:	81060590
Reduced:	SN3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	37.09
Dipole, Da:	4.49
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations