Geometry & MOs

Info

ID:	88928
PubChem CID:	49957859
Reduced:	ClNOH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	407.98763
ΔH_f, kcal/mol:	2.46
Dipole, Da:	3.76
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)C3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations