Geometry & MOs

Info

ID:	205692
PubChem CID:	80135123
Reduced:	OSN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	61.94
Dipole, Da:	2.61
IP(EA), eV:	-8.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1N=C(N2C3=CC=C(C=C3)SC)N

DOS

IR

Vibrations