Geometry & MOs

Info

ID:	41274
PubChem CID:	8145581
Reduced:	NO5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	385.149836
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	5.56
IP(EA), eV:	-8.49(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-benzyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC(=O)CCC1=CC=C(C=C1)OC[C@H](CN(C)CC2=C(C(=CC=C2)OC)OC)O

DOS

IR

Vibrations