Geometry & MOs

Info

ID:	21690
PubChem CID:	589535
Reduced:	SN7H13C14 (1)
Stoich.:	AB7C13D14 (1)
Weight, g/mol:	311.095315
ΔH_f, kcal/mol:	122.6
Dipole, Da:	4.57
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CSC3=NC4=NC=NC(=C4N3)N

DOS

IR

Vibrations