Geometry & MOs

Info

ID:	88945
PubChem CID:	49958024
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	481.96637
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	1.21
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromo-6-methylphenoxy)methyl]-5-[(2,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=C(O3)Br)C

DOS

IR

Vibrations