Geometry & MOs

Info

ID:	89187
PubChem CID:	49959826
Reduced:	BrN2O3H17C24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	392.075684
ΔH_f, kcal/mol:	36.98
Dipole, Da:	4.64
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dinitrophenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)COC4=C(C5=CC=CC=C5C=C4)Br

DOS

IR

Vibrations