Geometry & MOs

Info

ID:	204838
PubChem CID:	80015777
Reduced:	NSC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	255.126855
ΔH_f, kcal/mol:	-45.29
Dipole, Da:	2.46
IP(EA), eV:	-8.54(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-thiol

Drug info:

PubChemData

Smile

CCC1CCN(CC1)CCC(C)CCS

DOS

IR

Vibrations