Geometry & MOs

Info

ID:	89245
PubChem CID:	49960124
Reduced:	ClBr2N2O2H13C21 (1)
Stoich.:	AB2C2D2E13F21 (1)
Weight, g/mol:	515.95072
ΔH_f, kcal/mol:	58.19
Dipole, Da:	5.42
IP(EA), eV:	-8.94(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)Cl

DOS

IR

Vibrations