Geometry & MOs

Info

ID:	353222
PubChem CID:	127284402
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	4.43
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-cyclopentylsulfonylacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations