Geometry & MOs

Info

ID:	89297
PubChem CID:	49960336
Reduced:	BrN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	498.01126
ΔH_f, kcal/mol:	-94.41
Dipole, Da:	5.47
IP(EA), eV:	-8.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations