Geometry & MOs

Info

ID:	433911
PubChem CID:	135174058
Reduced:	ON9C38H41 (1)
Stoich.:	AB9C38D41 (1)
Weight, g/mol:	524.230091
ΔH_f, kcal/mol:	114.79
Dipole, Da:	3.98
IP(EA), eV:	-8.49(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[methyl-[2-[(2-methylphenyl)methoxy]ethyl]amino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CN(C)CCO)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations