Geometry & MOs

Info

ID:	89305
PubChem CID:	49960407
Reduced:	ClBr2N2O3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	329.97707
ΔH_f, kcal/mol:	-22.09
Dipole, Da:	5.16
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Cl)C)Br

DOS

IR

Vibrations