Geometry & MOs

Info

ID:	438423
PubChem CID:	135228161
Reduced:	FO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	225.086189
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	3.81
IP(EA), eV:	-8.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(2-methoxyethoxy)-7,9-dihydropurin-8-one

Drug info:

PubChemData

Smile

CCN1C(=CC=C(C2=CC=CC(=O)N2CC)O)C=CC=C1C(=O)NNC3=CC=C(C=C3)F

DOS

IR

Vibrations