Geometry & MOs

Info

ID:	408472
PubChem CID:	135081238
Reduced:	OC7H8 (3)
Stoich.:	AB7C8 (3)
Weight, g/mol:	742.0261
ΔH_f, kcal/mol:	-78.53
Dipole, Da:	2.97
IP(EA), eV:	-9.13(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[acetyloxy-[3,4-bis(4,4,5,5,6,6,6-heptafluorohexyl)phenyl]-lambda3-iodanyl] acetate

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CCC3=C(OC=C23)C4=CC(=O)C=CC4=O)(C)C

DOS

IR

Vibrations