Geometry & MOs

Info

ID:	446892
PubChem CID:	135278494
Reduced:	OSN6H28C30 (1)
Stoich.:	ABC6D28E30 (1)
Weight, g/mol:	286.134223
ΔH_f, kcal/mol:	134.63
Dipole, Da:	4.15
IP(EA), eV:	-8.44(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethylpyridin-3-yl)-N-[(2-fluoro-7H-purin-6-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CC=CS7)N=C3)O

DOS

IR

Vibrations