Geometry & MOs

Info

ID:	41162
PubChem CID:	8145384
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	392.155649
ΔH_f, kcal/mol:	46.14
Dipole, Da:	5.94
IP(EA), eV:	-8.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

DOS

IR

Vibrations