Geometry & MOs

Info

ID:	15908
PubChem CID:	454870
Reduced:	IO3N5C13H16 (1)
Stoich.:	AB3C5D13E16 (1)
Weight, g/mol:	417.02979
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	1.97
IP(EA), eV:	-9.24(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3aR,4R,6S,6aS)-6-(iodomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CI)C

DOS

IR

Vibrations