Geometry & MOs

Info

ID:	89307
PubChem CID:	49960423
Reduced:	BrClN2O3H10C15 (1)
Stoich.:	ABC2D3E10F15 (1)
Weight, g/mol:	422.06299
ΔH_f, kcal/mol:	6.82
Dipole, Da:	4.45
IP(EA), eV:	-9.25(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-ethylphenoxy)methyl]-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/C2=NN=C(O2)COC3=C(C=C(C=C3)Br)Cl

DOS

IR

Vibrations