Geometry & MOs

Info

ID:	136894
PubChem CID:	52119956
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	480.241093
ΔH_f, kcal/mol:	-118.23
Dipole, Da:	6.83
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations