Geometry & MOs

Info

ID:	152720
PubChem CID:	56311777
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	486.12665
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	4.82
IP(EA), eV:	-8.95(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(CC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations