Geometry & MOs

Info

ID:	16459
PubChem CID:	469865
Reduced:	ON3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	250.117824
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	1.08
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R)-3-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)cyclobutan-1-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]1O)CO)N2C=NC3=C(N=C(N=C32)N)N

DOS

IR

Vibrations