Geometry & MOs

Info

ID:	142813
PubChem CID:	53095380
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	427.200825
ΔH_f, kcal/mol:	103.03
Dipole, Da:	5.69
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC4=C(C=C3)N(N=N4)C5CCCC5

DOS

IR

Vibrations