Geometry & MOs

Info

ID:	237068
PubChem CID:	92717147
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	14.78
Dipole, Da:	10.55
IP(EA), eV:	-8.32(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(2,5-dimethylphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C3=NC4=CC=CC=C4N3CCCN(C)C)Cl

DOS

IR

Vibrations