Geometry & MOs

Info

ID:	364083
PubChem CID:	127313872
Reduced:	SN3O3C16H31 (1)
Stoich.:	AB3C3D16E31 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-145.93
Dipole, Da:	4.97
IP(EA), eV:	-8.67(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations