Geometry & MOs

Info

ID:	355512
PubChem CID:	127288575
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	4.97
IP(EA), eV:	-8.99(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations