Geometry & MOs

Info

ID:	361102
PubChem CID:	127302018
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	323.232125
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	6.7
IP(EA), eV:	-8.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations