Geometry & MOs

Info

ID:	152728
PubChem CID:	56311787
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	403.146283
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	1.54
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-fluorophenyl)-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=CC(=C3)Cl)Cl

DOS

IR

Vibrations