Geometry & MOs

Info

ID:	310460
PubChem CID:	126580550
Reduced:	ON5C13H15 (2)
Stoich.:	AB5C13D15 (2)
Weight, g/mol:	453.248838
ΔH_f, kcal/mol:	105.61
Dipole, Da:	1.57
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-[2-(6-methoxypyridin-3-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine

Drug info:

PubChemData

Smile

C=C(/C=C/C1=CC=C(C=C1)CNCCN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)NO

DOS

IR

Vibrations