Geometry & MOs

Info

ID:	88970
PubChem CID:	49958360
Reduced:	N3O5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	453.93507
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	4.91
IP(EA), eV:	-9.41(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromo-6-methylphenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations