Geometry & MOs

Info

ID:	2206
PubChem CID:	6245
Reduced:	N4O4C11H14 (1)
Stoich.:	A4B4C11D14 (1)
Weight, g/mol:	266.101505
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	3.48
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations