Geometry & MOs

Info

ID:	58954
PubChem CID:	24723503
Reduced:	SO4H16C20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	194.110693
ΔH_f, kcal/mol:	-70.96
Dipole, Da:	3.71
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

C1COC(O1)C2=CC=C(S2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations