Geometry & MOs

Info

ID:	71148
PubChem CID:	48414360
Reduced:	FNOC8H9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-106.57
Dipole, Da:	3.33
IP(EA), eV:	-8.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butan-2-ylphenoxy)-1-(4-but-3-ynylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=CC=C2OC(F)F

DOS

IR

Vibrations