Geometry & MOs

Info

ID:	231867
PubChem CID:	87574819
Reduced:	ClN2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	303.972576
ΔH_f, kcal/mol:	53.03
Dipole, Da:	5.34
IP(EA), eV:	-9.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(2,2,2-trifluoroacetyl)phenyl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CNC2=NC(=NC(=N2)Cl)Cl)C

DOS

IR

Vibrations