Geometry & MOs

Info

ID:	276401
PubChem CID:	103823039
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	348.208279
ΔH_f, kcal/mol:	17.87
Dipole, Da:	4.96
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(2-ethylsulfonylethylamino)propyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCC2=CC(=CC=C2)OC

DOS

IR

Vibrations