Geometry & MOs

Info

ID:	292271
PubChem CID:	114788118
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	285.104817
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	8.89
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylphenyl)sulfanyl-N-methyl-7H-purin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=NC(=N1)C(CC2=CC=CC=C2OC)C(=O)O)C

DOS

IR

Vibrations