Geometry & MOs

Info

ID:	55206
PubChem CID:	17389895
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-83.38
Dipole, Da:	4.97
IP(EA), eV:	-9.01(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1CCN([C@H]1C2=CC=C(C=C2)Cl)CCOC

DOS

IR

Vibrations