Geometry & MOs

Info

ID:	364092
PubChem CID:	127313881
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	4.19
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)CN3CCCC3C(=O)NC4CC4

DOS

IR

Vibrations