Geometry & MOs

Info

ID:	372588
PubChem CID:	131300332
Reduced:	ClF3O3H6C9 (1)
Stoich.:	AB3C3D6E9 (1)
Weight, g/mol:	240.032891
ΔH_f, kcal/mol:	-279.06
Dipole, Da:	2.8
IP(EA), eV:	-9.86(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-5-ethyl-2-fluoro-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC(=C1)C(F)(F)F)Cl)O

DOS

IR

Vibrations