Geometry & MOs

Info

ID:	339160
PubChem CID:	127260539
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	332.159689
ΔH_f, kcal/mol:	-4.06
Dipole, Da:	2.19
IP(EA), eV:	-9.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-2-(hydroxymethyl)-5-[6-[(E)-(1-methylpyrrolidin-2-ylidene)amino]purin-9-yl]oxolan-3-ol

Drug info:

PubChemData

Smile

C[C@H]1C=C(O[C@H]1CO)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations