Geometry & MOs

Info

ID:	89148
PubChem CID:	49959675
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	362.00662
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	3.48
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3CCCCC3)Br

DOS

IR

Vibrations