Geometry & MOs

Info

ID:	79885
PubChem CID:	49831038
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	392.9934
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	6.7
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=CN=CN3C4CCCCC4

DOS

IR

Vibrations