Geometry & MOs

Info

ID:	257437
PubChem CID:	103146180
Reduced:	Cl2F2O2N3H11C12 (1)
Stoich.:	A2B2C2D3E11F12 (1)
Weight, g/mol:	295.113233
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	6.37
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)N)Cl)C2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations