Geometry & MOs

Info

ID:	84699
PubChem CID:	49869359
Reduced:	OCl5N5C26H32 (1)
Stoich.:	AB5C5D26E32 (1)
Weight, g/mol:	533.151594
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	7.05
IP(EA), eV:	-8.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-propylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CN1C2=CC=C(C=C2)Cl)C(=O)NCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl.Cl.Cl

DOS

IR

Vibrations