Geometry & MOs

Info

ID:	59352
PubChem CID:	24830158
Reduced:	N3C12H16 (2)
Stoich.:	A3B12C16 (2)
Weight, g/mol:	502.196468
ΔH_f, kcal/mol:	81.95
Dipole, Da:	1.52
IP(EA), eV:	-8.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(5-phenoxy-1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=C(N=C3N2C=CC=C3)CN(C)C4CCCC5=C4N=CC=C5

DOS

IR

Vibrations