Geometry & MOs

Info

ID:	60267
PubChem CID:	26676049
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	346.99055
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	3.72
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-5-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H](N(N=C2/C(=C/C3=CC=CO3)/C1)C(=O)COC4=CC=CC=[N+]4[O-])C5=CC=CO5

DOS

IR

Vibrations