Geometry & MOs

Info

ID:	71748
PubChem CID:	48415313
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	5.96
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations