Geometry & MOs

Info

ID:	168554
PubChem CID:	74987269
Reduced:	NO6C20H36 (2)
Stoich.:	AB6C20D36 (2)
Weight, g/mol:	351.190654
ΔH_f, kcal/mol:	-569.81
Dipole, Da:	2.72
IP(EA), eV:	-8.56(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hexylamino)-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)(C#C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O

DOS

IR

Vibrations