Geometry & MOs

Info

ID:	314611
PubChem CID:	126622446
Reduced:	BrClON3C8H9 (1)
Stoich.:	ABCD3E8F9 (1)
Weight, g/mol:	480.202222
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	6.01
IP(EA), eV:	-9.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[9-[(4-methoxyphenyl)methyl]-2-(6-methylpyridin-2-yl)purin-6-yl]amino]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1C(N1)C(=O)NC2=NC(=CC=C2)Br.Cl

DOS

IR

Vibrations