Geometry & MOs

Info

ID:	84700
PubChem CID:	49869360
Reduced:	OCl3N5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	519.135944
ΔH_f, kcal/mol:	2.72
Dipole, Da:	6.65
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-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

DOS

IR

Vibrations