Geometry & MOs

Info

ID:	152922
PubChem CID:	56312013
Reduced:	SO3N6C22H26 (1)
Stoich.:	AB3C6D22E26 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-6.73
Dipole, Da:	2.99
IP(EA), eV:	-9.25(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=NN3C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations