Geometry & MOs

Info

ID:	338571
PubChem CID:	127259582
Reduced:	N5O6C12H15 (1)
Stoich.:	A5B6C12D15 (1)
Weight, g/mol:	296.159689
ΔH_f, kcal/mol:	-205.62
Dipole, Da:	5.35
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CC(=O)O)N

DOS

IR

Vibrations