Geometry & MOs

Info

ID:	54250
PubChem CID:	16957123
Reduced:	Cl2O2N3H11C23 (1)
Stoich.:	A2B2C3D11E23 (1)
Weight, g/mol:	509.163683
ΔH_f, kcal/mol:	56.43
Dipole, Da:	5.32
IP(EA), eV:	-9.2(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3N2C(=NC4=C3C(=O)C5=C(O4)C=CC(=C5)Cl)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations