Geometry & MOs

Info

ID:	273858
PubChem CID:	103805405
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-36.22
Dipole, Da:	3.91
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)NCC2CCNCC2

DOS

IR

Vibrations