Geometry & MOs

Info

ID:	152456
PubChem CID:	56311387
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	429.10519
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	2.36
IP(EA), eV:	-8.67(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations