Geometry & MOs

Info

ID:	222190
PubChem CID:	85295116
Reduced:	ClOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	209.091275
ΔH_f, kcal/mol:	23.28
Dipole, Da:	3.69
IP(EA), eV:	-9.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxyethylamino)-7-methyl-5H-purin-2-one

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C=CC3CC(=O)Cl

DOS

IR

Vibrations