Geometry & MOs

Info

ID:	433880
PubChem CID:	135174023
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	511.198456
ΔH_f, kcal/mol:	-159.36
Dipole, Da:	2.45
IP(EA), eV:	-9.13(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[phenoxy(3-phenylmethoxypropoxy)phosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COCC(C)(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations