Geometry & MOs

Info

ID:	89076
PubChem CID:	49959199
Reduced:	Br2N2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-7.44
Dipole, Da:	4.48
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations