Geometry & MOs

Info

ID:	226387
PubChem CID:	87351655
Reduced:	Cl3N3H10C13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	630.013516
ΔH_f, kcal/mol:	39.49
Dipole, Da:	2.11
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis(2,2,3,3,4,4,5,5,5-nonafluoropentyl)phthalic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(CCN2C3=C(C=C(C=C3)Cl)Cl)C(=N1)Cl

DOS

IR

Vibrations