Geometry & MOs

Info

ID:	365652
PubChem CID:	127318373
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	350.01269
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	3.4
IP(EA), eV:	-9.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2CCOCC2)OCC3CCCCO3

DOS

IR

Vibrations