Geometry & MOs

Info

ID:	257432
PubChem CID:	103146119
Reduced:	ClO2F3N3H11C12 (1)
Stoich.:	AB2C3D3E11F12 (1)
Weight, g/mol:	321.049189
ΔH_f, kcal/mol:	-171.32
Dipole, Da:	5.21
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NC(=NO2)CCOCC(F)(F)F)Cl)N

DOS

IR

Vibrations