Geometry & MOs

Info

ID:	237066
PubChem CID:	92717141
Reduced:	ClO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-27.78
Dipole, Da:	5.89
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C[C@@H](CC2=O)C3=NC4=CC=CC=C4N3CCN5CCOCC5

DOS

IR

Vibrations