Geometry & MOs

Info

ID:	382044
PubChem CID:	134972951
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	458.05634
ΔH_f, kcal/mol:	84.34
Dipole, Da:	2.07
IP(EA), eV:	-8.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-(6-aminopurin-9-yl)-5-[[2-iodoethyl(prop-2-ynyl)amino]methyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(N=CC=C2)C3=CC=CC=N3)C

DOS

IR

Vibrations