Geometry & MOs

Info

ID:	89146
PubChem CID:	49959670
Reduced:	BrClN2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	408.04734
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	6.08
IP(EA), eV:	-9.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC=CC=C3Cl)Br

DOS

IR

Vibrations