Geometry & MOs

Info

ID:	365658
PubChem CID:	127318379
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	3.73
IP(EA), eV:	-9.54(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cycloheptyl-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCCC1C2=NOC(=N2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations