Geometry & MOs

Info

ID:	61211
PubChem CID:	26707130
Reduced:	ClON6C26H27 (1)
Stoich.:	ABC6D26E27 (1)
Weight, g/mol:	441.205729
ΔH_f, kcal/mol:	78.49
Dipole, Da:	8.29
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations