Geometry & MOs

Info

ID:	205691
PubChem CID:	80135122
Reduced:	BrN3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	287.084081
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	1.85
IP(EA), eV:	-8.77(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-9-(4-methylsulfanylphenyl)purin-8-amine

Drug info:

PubChemData

Smile

CCC(C(C)C1=C(C(=NC=N1)OC)[N+](=O)[O-])Br

DOS

IR

Vibrations