Geometry & MOs

Info

ID:	152725
PubChem CID:	56311783
Reduced:	N3O4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	419.116732
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	6.65
IP(EA), eV:	-8.42(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-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=C4C5=CC=CC=C5OC4=C3)OC

DOS

IR

Vibrations