Geometry & MOs

Info

ID:	22455
PubChem CID:	597254
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	36.91
Dipole, Da:	5.4
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(4-tert-butylphenoxy)ethylsulfanyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NC3=NC=NC(=C3N2)N

DOS

IR

Vibrations