Geometry & MOs

Info

ID:	152832
PubChem CID:	56311909
Reduced:	ClON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	13.76
Dipole, Da:	6.36
IP(EA), eV:	-8.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl

DOS

IR

Vibrations