Geometry & MOs

Info

ID:	89162
PubChem CID:	49959706
Reduced:	BrN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	5.46
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations