Geometry & MOs

Info

ID:	18764
PubChem CID:	547505
Reduced:	O3F4H5N5C11 (1)
Stoich.:	A3B4C5D5E11 (1)
Weight, g/mol:	331.032852
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	5.75
IP(EA), eV:	-9.85(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1F)F)OCC2=NC(=NO2)C3=NON=C3N)F)F

DOS

IR

Vibrations