Geometry & MOs

Info

ID:	136901
PubChem CID:	52120222
Reduced:	ClFO2N5C25H27 (1)
Stoich.:	ABC2D5E25F27 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	3.81
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)CC4=NN=C(O4)C5=CC=C(C=C5)F

DOS

IR

Vibrations