Geometry & MOs

Info

ID:	13973
PubChem CID:	401214
Reduced:	O4N6C15H24 (1)
Stoich.:	A4B6C15D24 (1)
Weight, g/mol:	352.185903
ΔH_f, kcal/mol:	-115.08
Dipole, Da:	1.59
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[3-(dimethylamino)propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CN(C)CCCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations