Geometry & MOs

Info

ID:	150406
PubChem CID:	53790096
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	286.133771
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	4.37
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)oxadiazol-3-ium-5-yl]-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC3=C(C=C2)N=CC34OCCO4

DOS

IR

Vibrations