Geometry & MOs

Info

ID:	142737
PubChem CID:	53083357
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	429.109149
ΔH_f, kcal/mol:	14.76
Dipole, Da:	4.94
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)C3=C(N2CC(=O)NCCC4=CC=CC=C4)N=CC=C3

DOS

IR

Vibrations