Geometry & MOs

Info

ID:	71458
PubChem CID:	48414910
Reduced:	ClOF3N4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	324.079619
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	4.45
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

DOS

IR

Vibrations