Geometry & MOs

Info

ID:	89267
PubChem CID:	49960171
Reduced:	BrNOH7C8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	503.95072
ΔH_f, kcal/mol:	10.31
Dipole, Da:	4.88
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

DOS

IR

Vibrations