Geometry & MOs

Info

ID:	136905
PubChem CID:	52120884
Reduced:	FO3N6C26H35 (1)
Stoich.:	AB3C6D26E35 (1)
Weight, g/mol:	467.28964
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	4.79
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCN(CC2)C(=O)C3CCN(CC3)CC4=NN=C(O4)C5=CC(=CC=C5)F)C(=O)N

DOS

IR

Vibrations