Geometry & MOs

Info

ID:	54252
PubChem CID:	16957202
Reduced:	ClO2N3C29H32 (1)
Stoich.:	AB2C3D29E32 (1)
Weight, g/mol:	519.22887
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	2.92
IP(EA), eV:	-8.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C3=NC4=CC=CC=C4N3CCCCOC5=CC=CC=C5.Cl

DOS

IR

Vibrations