Geometry & MOs

Info

ID:	88989
PubChem CID:	49958521
Reduced:	BrCl2N2O2H11C16 (1)
Stoich.:	AB2C2D2E11F16 (1)
Weight, g/mol:	411.9381
ΔH_f, kcal/mol:	5.45
Dipole, Da:	1.03
IP(EA), eV:	-8.97(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methylphenoxy)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations