Geometry & MOs

Info

ID:	388415
PubChem CID:	134989093
Reduced:	ClNC7H8 (1)
Stoich.:	ABC7D8 (1)
Weight, g/mol:	249.103479
ΔH_f, kcal/mol:	11.53
Dipole, Da:	1.66
IP(EA), eV:	-8.82(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyl-5,6-dihydro-4H-1,3-oxazin-3-ium-3-yl)pentane-1-sulfonate

Drug info:

PubChemData

Smile

C=[NH+]C1=CC=CC=C1.[Cl-]

DOS

IR

Vibrations