Geometry & MOs

Info

ID:	175978
PubChem CID:	75977292
Reduced:	F2N2O2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	-176.76
Dipole, Da:	5.99
IP(EA), eV:	-9.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CC(=C2)F)F)CCC(=O)N

DOS

IR

Vibrations