Geometry & MOs

Info

ID:	89280
PubChem CID:	49960212
Reduced:	ClBr2N2O2H11C16 (1)
Stoich.:	AB2C2D2E11F16 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	18.79
Dipole, Da:	5.82
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Br)Br

DOS

IR

Vibrations