Geometry & MOs

Info

ID:	268849
PubChem CID:	103601221
Reduced:	OF4H4C9 (1)
Stoich.:	AB4C4D9 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-142.79
Dipole, Da:	2.08
IP(EA), eV:	-9.79(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C#CCOC1=C(C(=CC(=C1F)F)F)F

DOS

IR

Vibrations