Geometry & MOs

Info

ID:	15408
PubChem CID:	440598
Reduced:	N5O5C9H9 (1)
Stoich.:	A5B5C9D9 (1)
Weight, g/mol:	267.060368
ΔH_f, kcal/mol:	-94.37
Dipole, Da:	7.39
IP(EA), eV:	-9.78(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-7,8-dihydroxy-4-oxo-1,7-dihydropteridin-6-yl)propane-1,2-dione

Drug info:

PubChemData

Smile

CC(=O)C(=O)C1=NC2=C(NC(=NC2=O)N)N(C1O)O

DOS

IR

Vibrations