Geometry & MOs

Info

ID:	179819
PubChem CID:	76536300
Reduced:	NaO3N5C10H10 (1)
Stoich.:	AB3C5D10E10 (1)
Weight, g/mol:	248.078364
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	6.45
IP(EA), eV:	-8.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-methyl-5-oxo-4-(prop-2-enylamino)pteridin-5-ium-6,7-dione

Drug info:

PubChemData

Smile

C[N+]1=C2C(=[N+](C(=O)C1=O)[O-])C(=NC=N2)NCC=C.[Na+]

DOS

IR

Vibrations