Geometry & MOs

Info

ID:	89109
PubChem CID:	49959434
Reduced:	N3O3H13C19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	455.96431
ΔH_f, kcal/mol:	71.13
Dipole, Da:	5.54
IP(EA), eV:	-9.23(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations