Geometry & MOs

Info

ID:	71378
PubChem CID:	48414736
Reduced:	ClFN2O2C16H18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-55.03
Dipole, Da:	1.86
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations