Geometry & MOs

Info

ID:	273816
PubChem CID:	103805203
Reduced:	BrClFOH9C14 (1)
Stoich.:	ABCDE9F14 (1)
Weight, g/mol:	304.103021
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	3.29
IP(EA), eV:	-9.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)CC2=CC(=C(C=C2)F)Cl)Br

DOS

IR

Vibrations