Geometry & MOs

Info

ID:	89159
PubChem CID:	49959701
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	473.88045
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	4.65
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)COC3=C(C=C(C=C3)C)Br

DOS

IR

Vibrations