Geometry & MOs

Info

ID:	372337
PubChem CID:	131296364
Reduced:	BrClOF3H7C10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	269.982605
ΔH_f, kcal/mol:	-191.89
Dipole, Da:	6.55
IP(EA), eV:	-9.91(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations