Geometry & MOs

Info

ID:	14381
PubChem CID:	410535
Reduced:	ON4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	95.22
Dipole, Da:	3.87
IP(EA), eV:	-9.79(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylphenoxy)-5H-purine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2=NC=NC3=NC=NC32

DOS

IR

Vibrations