Geometry & MOs

Info

ID:	146577
PubChem CID:	53706850
Reduced:	FO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	725.970939
ΔH_f, kcal/mol:	-319.31
Dipole, Da:	12.66
IP(EA), eV:	-9.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1,1,1,2,3,8,9,9,9-nonafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,6,8-tetrakis(trifluoromethyl)nona-3,6-diene

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=C(C4(C3(C(CC2(C1(C(=O)O)OC(=O)C)C)O)F)C)C

DOS

IR

Vibrations