Geometry & MOs

Info

ID:	18356
PubChem CID:	539808
Reduced:	NO6C12H15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	269.089937
ΔH_f, kcal/mol:	-210.46
Dipole, Da:	4.26
IP(EA), eV:	-9.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[acetyloxy-(5-ethoxy-1-oxidopyridin-1-ium-2-yl)methyl] acetate

Drug info:

PubChemData

Smile

CCOC1=C[N+](=C(C=C1)C(OC(=O)C)OC(=O)C)[O-]

DOS

IR

Vibrations