Geometry & MOs

Info

ID:	187458
PubChem CID:	77574111
Reduced:	NO4C14H29 (1)
Stoich.:	AB4C14D29 (1)
Weight, g/mol:	417.176067
ΔH_f, kcal/mol:	-232.63
Dipole, Da:	3.49
IP(EA), eV:	-9.11(1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(2-hydroxycyclopentyl)amino]-2-pyrazol-1-ylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCC(C(CC(C(CC(C)C1CCNC1)O)O)O)O

DOS

IR

Vibrations