Geometry & MOs

Info

ID:	9742
PubChem CID:	92919
Reduced:	N5O5C12H17 (1)
Stoich.:	A5B5C12D17 (1)
Weight, g/mol:	311.122969
ΔH_f, kcal/mol:	-147.78
Dipole, Da:	10.45
IP(EA), eV:	-9.29(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylamino)-3H-purin-6-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations