Geometry & MOs

Info

ID:	84701
PubChem CID:	49869361
Reduced:	OCl3N5C25H28 (1)
Stoich.:	AB3C5D25E28 (1)
Weight, g/mol:	543.240103
ΔH_f, kcal/mol:	8.09
Dipole, Da:	7.73
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CN1C2=CC=C(C=C2)Cl)C(=O)NCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations