Geometry & MOs

Info

ID:	205737
PubChem CID:	80147930
Reduced:	BrOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	306.082286
ΔH_f, kcal/mol:	3.07
Dipole, Da:	3.04
IP(EA), eV:	-9.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluoro-4-methylphenyl]ethanone

Drug info:

PubChemData

Smile

C1CC1(C2=CC=CC=C2)C(=O)CBr

DOS

IR

Vibrations