Geometry & MOs

Info

ID:	89158
PubChem CID:	49959696
Reduced:	BrN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	0.98
Dipole, Da:	4.2
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations