Geometry & MOs

Info

ID:	152567
PubChem CID:	56311524
Reduced:	ClN2O3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	419.116732
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	6.4
IP(EA), eV:	-8.84(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations