Geometry & MOs

Info

ID:	308706
PubChem CID:	126522402
Reduced:	FN7H14C23 (1)
Stoich.:	AB7C14D23 (1)
Weight, g/mol:	192.046967
ΔH_f, kcal/mol:	185.98
Dipole, Da:	4.34
IP(EA), eV:	-8.79(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-prop-2-enyl-9H-purine-8-thione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=NC=CN=C6)/C=C23)F

DOS

IR

Vibrations