Geometry & MOs

Info

ID:	211714
PubChem CID:	81050437
Reduced:	BrClFC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	309.975075
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	2.95
IP(EA), eV:	-9.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=CC=C(C=C2)C(C)C)Br

DOS

IR

Vibrations