Geometry & MOs

Info

ID:	369804
PubChem CID:	127335759
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	2.33
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methyl-3-(3-oxopiperazin-1-yl)propyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CSCCC12C(=O)N(C(=O)N2)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations