Geometry & MOs

Info

ID:	138176
PubChem CID:	52323730
Reduced:	ClN3O5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	-143.92
Dipole, Da:	10.11
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-[4-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1N2C[C@@H](CC2=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl)OC

DOS

IR

Vibrations