Geometry & MOs

Info

ID:	46107
PubChem CID:	10521845
Reduced:	N2O2C21H38 (1)
Stoich.:	A2B2C21D38 (1)
Weight, g/mol:	351.133139
ΔH_f, kcal/mol:	-130.15
Dipole, Da:	2.11
IP(EA), eV:	-9.44(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-5-[4-amino-3-(2-phenylethynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCC(CC)(C1=N[C@H](C(O1)(C)C)C(C)C)C2=N[C@H](C(O2)(C)C)C(C)C

DOS

IR

Vibrations