Geometry & MOs

Info

ID:	142814
PubChem CID:	53095401
Reduced:	O2N5C25H25 (1)
Stoich.:	A2B5C25D25 (1)
Weight, g/mol:	447.146203
ΔH_f, kcal/mol:	37.75
Dipole, Da:	5.24
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CC(CC2=O)C3=NC(=NO3)C4=CC5=C(C=C4)N(C=N5)C6CCCC6

DOS

IR

Vibrations