Geometry & MOs

Info

ID:	138983
PubChem CID:	52453779
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	372.184265
ΔH_f, kcal/mol:	-41.12
Dipole, Da:	5.08
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dimethylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1N2CCN(CC2)C)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations