Geometry & MOs

Info

ID:	89121
PubChem CID:	49959513
Reduced:	ClN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	391.99272
ΔH_f, kcal/mol:	-6.83
Dipole, Da:	4.48
IP(EA), eV:	-9.08(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)/C=C/C3=CC=CO3

DOS

IR

Vibrations