Geometry & MOs

Info

ID:	245721
PubChem CID:	103023116
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	258.082286
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	3.38
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=CC=CC2=CC=CC=C21)OC

DOS

IR

Vibrations