Geometry & MOs

Info

ID:	402981
PubChem CID:	135058151
Reduced:	F2H5C7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	254.071863
ΔH_f, kcal/mol:	-172.71
Dipole, Da:	2.61
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-(4-methylphenyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(C=CC(=C2)C(F)(F)F)F

DOS

IR

Vibrations