Geometry & MOs

Info

ID:	264249
PubChem CID:	103445874
Reduced:	ClN3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	230.050985
ΔH_f, kcal/mol:	13.39
Dipole, Da:	3.59
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(C2=C(C=CC=N2)Cl)NN

DOS

IR

Vibrations