Geometry & MOs

Info

ID:	433998
PubChem CID:	135174148
Reduced:	NC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	560.230091
ΔH_f, kcal/mol:	57.64
Dipole, Da:	1.36
IP(EA), eV:	-8.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-[(2-methylphenyl)methoxy]ethylamino]-naphthalen-2-yloxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=CC=C2)/C=C\C3=CC=CC=C3

DOS

IR

Vibrations