Geometry & MOs

Info

ID:	159944
PubChem CID:	57299210
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	375.154269
ΔH_f, kcal/mol:	15.42
Dipole, Da:	0.35
IP(EA), eV:	-8.51(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-[6-amino-2-[2-(1-hydroxycyclopentyl)ethynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C(C)C)C)C2=NC(=CC(=N2)C)C

DOS

IR

Vibrations