Geometry & MOs

Info

ID:	48355
PubChem CID:	10539167
Reduced:	SiO3C13H26 (1)
Stoich.:	AB3C13D26 (1)
Weight, g/mol:	258.051968
ΔH_f, kcal/mol:	-184.37
Dipole, Da:	2.99
IP(EA), eV:	-9.52(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C/C=C/[C@H]([C@H]([C@@H](C(C)C)[Si](C)(C)C)C(=O)O)O

DOS

IR

Vibrations