Geometry & MOs

Info

ID:	245744
PubChem CID:	103023186
Reduced:	FN3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	224.121258
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	2.9
IP(EA), eV:	-9.08(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC(CCC1=CN(N=C1)C)(CN)F

DOS

IR

Vibrations