Geometry & MOs

Info

ID:	387998
PubChem CID:	134987773
Reduced:	ClSeC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	283.900407
ΔH_f, kcal/mol:	2.45
Dipole, Da:	1.23
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-(1,2,2-trichloroethenyl)purine

Drug info:

PubChemData

Smile

CCCCC/C=C(\Cl)/[Se]C1=CC=CC=C1

DOS

IR

Vibrations