Geometry & MOs

Info

ID:	145516
PubChem CID:	53536730
Reduced:	N2S2F3O3H13C16 (1)
Stoich.:	A2B2C3D3E13F16 (1)
Weight, g/mol:	337.197712
ΔH_f, kcal/mol:	-210.41
Dipole, Da:	6.96
IP(EA), eV:	-10.05(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methoxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CC(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations