Geometry & MOs

Info

ID:	48132
PubChem CID:	10537351
Reduced:	ClOH9C14 (1)
Stoich.:	ABC9D14 (1)
Weight, g/mol:	227.996952
ΔH_f, kcal/mol:	21.95
Dipole, Da:	2.14
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-7-prop-2-enylpurine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations