Geometry & MOs

Info

ID:	392412
PubChem CID:	135015578
Reduced:	O2N4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	718.445334
ΔH_f, kcal/mol:	29.42
Dipole, Da:	4.01
IP(EA), eV:	-9.85(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-bicyclo[2.2.1]heptanyl)-9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purine-2,6-diamine

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(N=C1C2=CC=CC=C2)N3C=CN=C3

DOS

IR

Vibrations