Geometry & MOs

Info

ID:	89153
PubChem CID:	49959691
Reduced:	Br2N2O2H14C17 (1)
Stoich.:	A2B2C2D14E17 (1)
Weight, g/mol:	430.08921
ΔH_f, kcal/mol:	18.41
Dipole, Da:	5.88
IP(EA), eV:	-9.13(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-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)C3=CC(=C(C=C3)C)Br)Br

DOS

IR

Vibrations