Geometry & MOs

Info

ID:	89210
PubChem CID:	49959912
Reduced:	ION2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	388.02227
ΔH_f, kcal/mol:	69.85
Dipole, Da:	3.38
IP(EA), eV:	-9.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-methylphenoxy)methyl]-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3)I

DOS

IR

Vibrations