Geometry & MOs

Info

ID:	237091
PubChem CID:	92717217
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	1.7
Dipole, Da:	3.68
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[(3S)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1[C@@H]3CC(=O)N(C3)CC4CC4

DOS

IR

Vibrations