Geometry & MOs

Info

ID:	89154
PubChem CID:	49959692
Reduced:	BrN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	436.04226
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	5.88
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenoxy)methyl]-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(O2)COC3=C(C=C(C=C3)C)Br

DOS

IR

Vibrations