Geometry & MOs

Info

ID:	221837
PubChem CID:	85286194
Reduced:	SN2Cl3O9C24H31 (1)
Stoich.:	AB2C3D9E24F31 (1)
Weight, g/mol:	632.96603
ΔH_f, kcal/mol:	-431.7
Dipole, Da:	2.09
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-4-methoxyphenyl)methyl]-5-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C(C1OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)SC2=CC=CC=C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations