Geometry & MOs

Info

ID:	44465
PubChem CID:	10503673
Reduced:	ClNO2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	449.182806
ΔH_f, kcal/mol:	-103.62
Dipole, Da:	2.64
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethyl]purin-6-amine

Drug info:

PubChemData

Smile

CCCC/C(=C/CN1C(=O)NC(=O)O1)/C2=CC(=CC=C2)OCC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations