Geometry & MOs

Info

ID:	372542
PubChem CID:	131299496
Reduced:	ClF4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	240.032891
ΔH_f, kcal/mol:	-212.57
Dipole, Da:	3.51
IP(EA), eV:	-10.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-2-ethyl-5-fluoro-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C(F)(F)F)CCl)F

DOS

IR

Vibrations