Geometry & MOs

Info

ID:	89157
PubChem CID:	49959695
Reduced:	Br2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	400.07864
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	4.07
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC(=C(C=C3)Br)C)Br

DOS

IR

Vibrations