Geometry & MOs

Info

ID:	88903
PubChem CID:	49957534
Reduced:	BrIN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	327.085521
ΔH_f, kcal/mol:	52.22
Dipole, Da:	4.49
IP(EA), eV:	-9.23(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenoxy)methyl]-5-(2-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations