Geometry & MOs

Info

ID:	346378
PubChem CID:	127270882
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	335.257277
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	4.52
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations