Geometry & MOs

Info

ID:	89213
PubChem CID:	49959923
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	308.01604
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	3.82
IP(EA), eV:	-9.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)COC2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations