Geometry & MOs

Info

ID:	89212
PubChem CID:	49959922
Reduced:	OSN2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	80.6
Dipole, Da:	4.48
IP(EA), eV:	-9.15(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)/C=C/C3=CC=CS3

DOS

IR

Vibrations