Geometry & MOs

Info

ID:	365684
PubChem CID:	127318409
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	2.44
IP(EA), eV:	-9.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=NO2)C3CCOCC3

DOS

IR

Vibrations