Geometry & MOs

Info

ID:	226258
PubChem CID:	87350245
Reduced:	ClOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	680.004014
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	4.3
IP(EA), eV:	-9.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(2,2,3,3,4,4,5,5,5-nonafluoropentyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

C=CCC1=C(C(=CC=C1)C(=O)Cl)CC=C

DOS

IR

Vibrations