Geometry & MOs

Info

ID:	89164
PubChem CID:	49959713
Reduced:	BrN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	302.105528
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylfuran-3-yl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations