Geometry & MOs

Info

ID:	443249
PubChem CID:	135258282
Reduced:	BrO3N4C11H13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	2.31
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]octanamide

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@H]1O)N2C(=CC3=C(N=CN=C32)N)Br)CO

DOS

IR

Vibrations