Geometry & MOs

Info

ID:	89163
PubChem CID:	49959707
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	5.49
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)C)Br

DOS

IR

Vibrations