Geometry & MOs

Info

ID:	262704
PubChem CID:	103310054
Reduced:	ClOSN2H5F6C8 (1)
Stoich.:	ABCD2E5F6G8 (1)
Weight, g/mol:	307.100698
ΔH_f, kcal/mol:	-338.7
Dipole, Da:	1.76
IP(EA), eV:	-9.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one

Drug info:

PubChemData

Smile

C1=C(N=C(S1)NC(=O)C(C(F)(F)F)C(F)(F)F)CCl

DOS

IR

Vibrations