Geometry & MOs

Info

ID:	271853
PubChem CID:	103694339
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	214.056071
ΔH_f, kcal/mol:	2.2
Dipole, Da:	5.01
IP(EA), eV:	-8.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CNC2CCN(C2)C

DOS

IR

Vibrations