Geometry & MOs

Info

ID:	84163
PubChem CID:	49864688
Reduced:	ON3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	371.17644
ΔH_f, kcal/mol:	16.04
Dipole, Da:	4.19
IP(EA), eV:	-8.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC(=C1)N2CCN(CC2)C)C(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations