Geometry & MOs

Info

ID:	188228
PubChem CID:	77685813
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	255.096754
ΔH_f, kcal/mol:	-122.4
Dipole, Da:	6.31
IP(EA), eV:	-9.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3,5-diamino-6-(furan-2-ylmethylamino)-1,4-dihydroxypyrazine-1,4-diium-2-ol

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O)OC2=CC=CC=C2.Cl

DOS

IR

Vibrations