Geometry & MOs

Info

ID:	389032
PubChem CID:	134990938
Reduced:	SO6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-200.52
Dipole, Da:	4.83
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-1-oxidopyridin-1-ium-2-yl)methyl acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C/CCOS(=O)(=O)C

DOS

IR

Vibrations