Geometry & MOs

Info

ID:	152727
PubChem CID:	56311786
Reduced:	O2Cl3N3C21H22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	419.116732
ΔH_f, kcal/mol:	-69.5
Dipole, Da:	0.95
IP(EA), eV:	-9.19(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations