Geometry & MOs

Info

ID:	17732
PubChem CID:	515622
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	3.33
IP(EA), eV:	-10.36(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)NCC#N

DOS

IR

Vibrations