Geometry & MOs

Info

ID:	152250
PubChem CID:	56311141
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	457.13649
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	1.74
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCCOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations