Geometry & MOs

Info

ID:	6728
PubChem CID:	69736
Reduced:	O2N5C7H7 (1)
Stoich.:	A2B5C7D7 (1)
Weight, g/mol:	193.059974
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	5.85
IP(EA), eV:	-9.92(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(hydroxymethyl)-1H-pteridin-4-one

Drug info:

PubChemData

Smile

C1=C(N=C2C(=N1)NC(=NC2=O)N)CO

DOS

IR

Vibrations