Geometry & MOs

Info

ID:	434022
PubChem CID:	135174175
Reduced:	BrClN2O2C23H26 (1)
Stoich.:	ABC2D2E23F26 (1)
Weight, g/mol:	546.214441
ΔH_f, kcal/mol:	10.6
Dipole, Da:	3.48
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-(naphthalen-1-ylmethoxy)ethylamino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=C(C=C1)OCCNCC2CNC2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations