Geometry & MOs

Info

ID:	338572
PubChem CID:	127259583
Reduced:	O3N6C12H20 (1)
Stoich.:	A3B6C12D20 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-49.35
Dipole, Da:	4.11
IP(EA), eV:	-7.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-2-[6-(2-bicyclo[2.2.1]heptanylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CN(C)N1C=NC(=C2C1N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O)N

DOS

IR

Vibrations