Geometry & MOs

Info

ID:	372541
PubChem CID:	131299494
Reduced:	ClF4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	240.032891
ΔH_f, kcal/mol:	-211.26
Dipole, Da:	1.66
IP(EA), eV:	-10.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1CCl)F)C(F)(F)F

DOS

IR

Vibrations