Geometry & MOs

Info

ID:	136899
PubChem CID:	52120220
Reduced:	F2O2N5C25H27 (1)
Stoich.:	A2B2C5D25E27 (1)
Weight, g/mol:	484.191556
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	4.27
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)CC4=NN=C(O4)C5=CC=C(C=C5)F

DOS

IR

Vibrations