Geometry & MOs

Info

ID:	25802
PubChem CID:	630968
Reduced:	O3C22H28 (1)
Stoich.:	A3B22C28 (1)
Weight, g/mol:	339.91837
ΔH_f, kcal/mol:	-136.52
Dipole, Da:	1.58
IP(EA), eV:	-8.77(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-3,5-bis(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(=C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)C(=O)OC

DOS

IR

Vibrations