Geometry & MOs

Info

ID:	245725
PubChem CID:	103023131
Reduced:	BrFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	302.03177
ΔH_f, kcal/mol:	-129.05
Dipole, Da:	3.9
IP(EA), eV:	-9.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=C(C=CC(=C1)F)Br)OC

DOS

IR

Vibrations