Geometry & MOs

Info

ID:	23816
PubChem CID:	606199
Reduced:	O4N5H7C8 (1)
Stoich.:	A4B5C7D8 (1)
Weight, g/mol:	237.049804
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	12.55
IP(EA), eV:	-10.12(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-methyl-4,7-dioxo-1H-pteridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N=C(N2)N)N=C(C1=O)C(=O)O

DOS

IR

Vibrations