Geometry & MOs

Info

ID:	89071
PubChem CID:	49959137
Reduced:	BrN3O4H12C19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	469.9862
ΔH_f, kcal/mol:	49.61
Dipole, Da:	2.61
IP(EA), eV:	-8.9(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-bromonaphthalen-2-yl)oxymethyl]-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2Br)OCC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations