Geometry & MOs

Info

ID:	136896
PubChem CID:	52120149
Reduced:	FO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	467.213281
ΔH_f, kcal/mol:	-28.02
Dipole, Da:	10.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.031362
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=NN=C(O4)C5=CC=C(C=C5)F

DOS

IR

Vibrations