Geometry & MOs

Info

ID:	54251
PubChem CID:	16957193
Reduced:	Cl2O2N3C28H29 (1)
Stoich.:	A2B2C3D28E29 (1)
Weight, g/mol:	489.218305
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	4.35
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCCN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC(=CC=C5)Cl.Cl

DOS

IR

Vibrations