Geometry & MOs

Info

ID:	136906
PubChem CID:	52121426
Reduced:	O3N5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	476.266165
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	2.76
IP(EA), eV:	-8.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN=C(O2)CN3CCC(CC3)C(=O)N4CCN(CC4)C5CCCCC5

DOS

IR

Vibrations