Geometry & MOs

Info

ID:	1444
PubChem CID:	4455
Reduced:	O4N5C9H11 (1)
Stoich.:	A4B5C9D11 (1)
Weight, g/mol:	253.081104
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	5.96
IP(EA), eV:	-10.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations