Geometry & MOs

Info

ID:	365664
PubChem CID:	127318385
Reduced:	BrN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	3.33
IP(EA), eV:	-9.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Br)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations