Geometry & MOs

Info

ID:	170373
PubChem CID:	75222768
Reduced:	O5N6C13H20 (1)
Stoich.:	A5B6C13D20 (1)
Weight, g/mol:	432.141001
ΔH_f, kcal/mol:	-167.12
Dipole, Da:	2.95
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-hexyl-6-oxo-5H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(CNC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N)O

DOS

IR

Vibrations