Geometry & MOs

Info

ID:	419175
PubChem CID:	135107676
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	4.39
IP(EA), eV:	-9.07(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[[[3-(pyrrolidine-1-carbonyl)pyridin-2-yl]amino]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)C(=O)CCCN2CC3=CC=CC=C3C2

DOS

IR

Vibrations