Geometry & MOs

Info

ID:	89168
PubChem CID:	49959736
Reduced:	BrN2O3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	8.29
Dipole, Da:	3.87
IP(EA), eV:	-8.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(O2)COC3=C(C4=CC=CC=C4C=C3)Br

DOS

IR

Vibrations