Geometry & MOs

Info

ID:	296256
PubChem CID:	117563913
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-128.71
Dipole, Da:	5.37
IP(EA), eV:	-9.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(1-methylpiperazin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC(=CC=C1)Cl)C(=O)OC

DOS

IR

Vibrations