Geometry & MOs

Info

ID:	186929
PubChem CID:	77506500
Reduced:	O3N5C8H9 (1)
Stoich.:	A3B5C8D9 (1)
Weight, g/mol:	223.070539
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	2.44
IP(EA), eV:	-9.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(2-methoxyacetyl)-5H-purin-6-one

Drug info:

PubChemData

Smile

COCC(=O)C1=NC2C(=NC(=NC2=O)N)N1

DOS

IR

Vibrations