Geometry & MOs

Info

ID:	142738
PubChem CID:	53083526
Reduced:	ClN3O5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	4.61
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NOC(=N2)C3CC(=O)N(C3)C4=C(C=CC(=C4)Cl)OC)OC

DOS

IR

Vibrations