Geometry & MOs

Info

ID:	89254
PubChem CID:	49960137
Reduced:	Br2Cl2N2O3H16C22 (1)
Stoich.:	A2B2C2D3E16F22 (1)
Weight, g/mol:	567.84558
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	6.98
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-5-[(1,6-dibromonaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)OCCCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations