Geometry & MOs

Info

ID:	16537
PubChem CID:	472244
Reduced:	PO4N5C12H20 (1)
Stoich.:	AB4C5D12E20 (1)
Weight, g/mol:	329.125291
ΔH_f, kcal/mol:	-170.21
Dipole, Da:	3.21
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(diethoxyphosphorylmethoxy)ethyl]purin-6-amine

Drug info:

PubChemData

Smile

CCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCC

DOS

IR

Vibrations