Geometry & MOs

Info

ID:	88916
PubChem CID:	49957697
Reduced:	ClN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	450.03458
ΔH_f, kcal/mol:	15.92
Dipole, Da:	4.26
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC2=NN=C(O2)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations