Geometry & MOs

Info

ID:	142529
PubChem CID:	53051384
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	-33.61
Dipole, Da:	5.31
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-1-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations