Geometry & MOs

Info

ID:	136897
PubChem CID:	52120218
Reduced:	F2O2N5C25H27 (1)
Stoich.:	A2B2C5D25E27 (1)
Weight, g/mol:	468.221106
ΔH_f, kcal/mol:	-69.58
Dipole, Da:	5.07
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3F)CC4=NN=C(O4)C5=CC=C(C=C5)F

DOS

IR

Vibrations