Geometry & MOs

Info

ID:	88900
PubChem CID:	49957492
Reduced:	BrClIN2O2H9C15 (1)
Stoich.:	ABCD2E2F9G15 (1)
Weight, g/mol:	425.9632
ΔH_f, kcal/mol:	35.14
Dipole, Da:	2.57
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Br)I

DOS

IR

Vibrations