Geometry & MOs

Info

ID:	434000
PubChem CID:	135174150
Reduced:	ClPO3N5C19H19 (1)
Stoich.:	ABC3D5E19F19 (1)
Weight, g/mol:	530.219526
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	3.11
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-[[[2-[(2-methylphenyl)methoxy]ethylamino]-naphthalen-2-yloxyphosphanyl]methoxy]ethyl]purin-6-amine

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OC3=CC4=CC=CC=C4C=C3)Cl

DOS

IR

Vibrations