Geometry & MOs

Info

ID:	217996
PubChem CID:	85088712
Reduced:	BrO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	419.144098
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	4.84
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)C=CC1CC1(C)C2=CC3=C(C(=C2)Br)OCC3(C)C

DOS

IR

Vibrations