Geometry & MOs

Info

ID:	40796
PubChem CID:	8144711
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	387.185472
ΔH_f, kcal/mol:	23.08
Dipole, Da:	4.62
IP(EA), eV:	-8.29(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCOCC3)C

DOS

IR

Vibrations