Geometry & MOs

Info

ID:	89074
PubChem CID:	49959174
Reduced:	BrFN2O2H12C19 (1)
Stoich.:	ABC2D2E12F19 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	5.05
Dipole, Da:	4.0
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2Br)OCC3=NN=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations