Geometry & MOs

Info

ID:	388219
PubChem CID:	134988528
Reduced:	Cl3O3C7H13 (1)
Stoich.:	A3B3C7D13 (1)
Weight, g/mol:	264.126954
ΔH_f, kcal/mol:	-163.89
Dipole, Da:	2.57
IP(EA), eV:	-10.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(2-methyl-5,6-dihydro-4H-1,3-oxazin-3-ium-3-yl)hexane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCOC(C(OCCOC)(Cl)Cl)Cl

DOS

IR

Vibrations