Geometry & MOs

Info

ID:	365651
PubChem CID:	127318372
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	6.36
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yl)-5-[1-(oxan-2-ylmethoxy)ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C4=NC(=NO4)C5CCOCC5

DOS

IR

Vibrations