Geometry & MOs

Info

ID:	15918
PubChem CID:	455225
Reduced:	O4N5C9H11 (1)
Stoich.:	A4B5C9D11 (1)
Weight, g/mol:	253.081104
ΔH_f, kcal/mol:	-96.28
Dipole, Da:	10.61
IP(EA), eV:	-9.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2S,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@@H](O[C@H](O1)CO)N2C=NC3=C2NC(=NC3=O)N

DOS

IR

Vibrations