Geometry & MOs

Info

ID:	433905
PubChem CID:	135174052
Reduced:	O2N7C38H41 (1)
Stoich.:	A2B7C38D41 (1)
Weight, g/mol:	510.214441
ΔH_f, kcal/mol:	59.27
Dipole, Da:	2.6
IP(EA), eV:	-8.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)CN(C3)C(=O)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations