Geometry & MOs

Info

ID:	123420
PubChem CID:	50846652
Reduced:	ClN2O3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	357.16079
ΔH_f, kcal/mol:	-97.04
Dipole, Da:	3.13
IP(EA), eV:	-9.17(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=CC=C2)OCC3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations