Geometry & MOs

Info

ID:	89169
PubChem CID:	49959739
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	2.53
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylfuran-3-yl)-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations