Geometry & MOs

Info

ID:	266890
PubChem CID:	103579890
Reduced:	BrNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	293.131031
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	3.8
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(oxolan-2-ylmethylsulfanyl)propyl]purin-6-amine

Drug info:

PubChemData

Smile

C1CC(OC1)CSCC2=CC(=CN=C2)Br

DOS

IR

Vibrations