Geometry & MOs

Info

ID:	142527
PubChem CID:	53051270
Reduced:	FON3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	3.87
IP(EA), eV:	-8.41(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxyphenyl)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations