Geometry & MOs

Info

ID:	250346
PubChem CID:	103095896
Reduced:	ClFON3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	2.14
IP(EA), eV:	-10.48(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-adamantyl)-3-(1-chlorobutyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC(=CN=C2)F)Cl

DOS

IR

Vibrations