Geometry & MOs

Info

ID:	245724
PubChem CID:	103023129
Reduced:	Cl2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	302.03177
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	3.27
IP(EA), eV:	-9.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=CC(=C(C=C1)Cl)Cl)OC

DOS

IR

Vibrations