Geometry & MOs

Info

ID:	89226
PubChem CID:	49960059
Reduced:	BrClN2O2H14C20 (1)
Stoich.:	ABC2D2E14F20 (1)
Weight, g/mol:	344.152478
ΔH_f, kcal/mol:	33.95
Dipole, Da:	3.1
IP(EA), eV:	-9.15(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(O3)COC4=C(C=C(C=C4)Cl)Br

DOS

IR

Vibrations