Geometry & MOs

Info

ID:	71364
PubChem CID:	48414688
Reduced:	FOCl2N2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-21.97
Dipole, Da:	3.06
IP(EA), eV:	-9.32(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2Cl)Cl)F

DOS

IR

Vibrations