Geometry & MOs

Info

ID:	211715
PubChem CID:	81050506
Reduced:	ClF3H3C5 (2)
Stoich.:	AB3C3D5 (2)
Weight, g/mol:	304.116084
ΔH_f, kcal/mol:	-315.07
Dipole, Da:	2.59
IP(EA), eV:	-9.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-(1-chloro-3,5,5-trimethylhexyl)-5-fluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C(C(F)(F)F)(F)F)Cl

DOS

IR

Vibrations