Geometry & MOs

Info

ID:	89211
PubChem CID:	49959921
Reduced:	BrFN2O2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	254.051384
ΔH_f, kcal/mol:	-13.56
Dipole, Da:	3.8
IP(EA), eV:	-9.16(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)/C=C/C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations