Geometry & MOs

Info

ID:	153091
PubChem CID:	56312224
Reduced:	ClFN3O3C21H23 (1)
Stoich.:	ABC3D3E21F23 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-135.88
Dipole, Da:	2.81
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations