Geometry & MOs

Info

ID:	9222
PubChem CID:	87216
Reduced:	O4N5C15H23 (1)
Stoich.:	A4B5C15D23 (1)
Weight, g/mol:	337.175004
ΔH_f, kcal/mol:	-133.79
Dipole, Da:	3.74
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations