Geometry & MOs

Info

ID:	12948
PubChem CID:	219015
Reduced:	O2N3C10H11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	410.170253
ΔH_f, kcal/mol:	-76.26
Dipole, Da:	2.84
IP(EA), eV:	-8.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

DOS

IR

Vibrations