Geometry & MOs

Info

ID:	48195
PubChem CID:	10537823
Reduced:	O4N5H7C8 (1)
Stoich.:	A4B5C7D8 (1)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	6.36
IP(EA), eV:	-10.55(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N=C(N=N2)C(=O)O

DOS

IR

Vibrations