Geometry & MOs

Info

ID:	370884
PubChem CID:	127341208
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	3.96
IP(EA), eV:	-9.17(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC2=NC=C(O2)C3=CC=CS3

DOS

IR

Vibrations