Geometry & MOs

Info

ID:	284528
PubChem CID:	104051626
Reduced:	BrClO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	336.01612
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	3.38
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations