Geometry & MOs

Info

ID:	20894
PubChem CID:	586280
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-50.88
Dipole, Da:	3.69
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]benzaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OCC2=[N+](ON=C2C)[O-]

DOS

IR

Vibrations