Geometry & MOs

Info

ID:	12253
PubChem CID:	133522
Reduced:	O4N5C8H11 (1)
Stoich.:	A4B5C8D11 (1)
Weight, g/mol:	241.081104
ΔH_f, kcal/mol:	-122.32
Dipole, Da:	7.62
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(2-hydroxyethoxymethyl)-3,7-dihydropurine-6,8-dione

Drug info:

PubChemData

Smile

C(COCN1C2=C(C(=O)N=C(N2)N)NC1=O)O

DOS

IR

Vibrations