Geometry & MOs

Info

ID:	338574
PubChem CID:	127259585
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	335.159354
ΔH_f, kcal/mol:	-115.3
Dipole, Da:	2.3
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-3-methylbut-1-enyl]amino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CC2CC1CC2NC3=C4C(=NC=N3)N(C=N4)[C@@H]5[C@H]([C@@H]([C@H](O5)CO)O)O

DOS

IR

Vibrations