Geometry & MOs

Info

ID:	9035
PubChem CID:	85473
Reduced:	O4N5C11H15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	281.112404
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	3.37
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)N

DOS

IR

Vibrations