Geometry & MOs

Info

ID:	367020
PubChem CID:	127322952
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-23.68
Dipole, Da:	4.6
IP(EA), eV:	-9.41(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-(1-cyanocyclopentyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations