Geometry & MOs

Info

ID:	434024
PubChem CID:	135174177
Reduced:	ON5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	516.203876
ΔH_f, kcal/mol:	33.77
Dipole, Da:	3.76
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-[[[2-(naphthalen-1-ylmethoxy)ethylamino]-phenoxyphosphanyl]methoxy]ethyl]purin-6-amine

Drug info:

PubChemData

Smile

CCO[C@@H](CN1C=NC2=C(N=CN=C21)N)C=C

DOS

IR

Vibrations