Geometry & MOs

Info

ID:	1342
PubChem CID:	4202
Reduced:	SO4N5C9H15 (1)
Stoich.:	AB4C5D9E15 (1)
Weight, g/mol:	289.084475
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	12.06
IP(EA), eV:	-9.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-diamino-4-piperidin-1-ylpyrimidin-1-ium-1-yl) sulfate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=[N+](C(=C2)N)OS(=O)(=O)[O-])N

DOS

IR

Vibrations