Geometry & MOs

Info

ID:	89283
PubChem CID:	49960247
Reduced:	Br2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	447.04298
ΔH_f, kcal/mol:	-17.52
Dipole, Da:	5.04
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations