Geometry & MOs

Info

ID:	314671
PubChem CID:	126622626
Reduced:	BrPN4O7H20C21 (1)
Stoich.:	ABC4D7E20F21 (1)
Weight, g/mol:	459.161915
ΔH_f, kcal/mol:	-231.19
Dipole, Da:	2.2
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-6-methylpyridin-2-yl)-N-(3-fluoropyridin-4-yl)-9-[(4-methoxyphenyl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)OCP(=O)(O)O)CC(=O)N3C[C@H]3C(=O)NC4=NC(=CC=C4)Br

DOS

IR

Vibrations