Geometry & MOs

Info

ID:	71198
PubChem CID:	48414435
Reduced:	ClFON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	407.127918
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	3.56
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations