Geometry & MOs

Info

ID:	206349
PubChem CID:	80235891
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	334.030954
ΔH_f, kcal/mol:	-141.38
Dipole, Da:	3.42
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1CC2=CC(=CO2)C(=O)O)C)C

DOS

IR

Vibrations