Geometry & MOs

Info

ID:	354808
PubChem CID:	127287568
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-97.76
Dipole, Da:	6.69
IP(EA), eV:	-8.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylpyrrolidin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCCC1)SC2=NN=C(O2)CN3CCCC3=O

DOS

IR

Vibrations