Geometry & MOs

Info

ID:	314635
PubChem CID:	126622532
Reduced:	ClFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	501.09127
ΔH_f, kcal/mol:	-115.07
Dipole, Da:	6.23
IP(EA), eV:	-9.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-2-(6-methylpyridin-2-yl)purin-6-amine

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)NCC2=CC=CC=C2)F.Cl

DOS

IR

Vibrations