Geometry & MOs

Info

ID:	202922
PubChem CID:	79746117
Reduced:	BrFNOH11C15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-25.53
Dipole, Da:	3.86
IP(EA), eV:	-9.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(diethylamino)-1-(5-ethylpyridin-2-yl)-3-methylpentan-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1C(=O)C3=CC(=CC(=C3)Br)F)N=CC=C2

DOS

IR

Vibrations