Geometry & MOs

Info

ID:	340855
PubChem CID:	127263290
Reduced:	SBr2N2C5H6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	233.043041
ΔH_f, kcal/mol:	23.04
Dipole, Da:	1.78
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethyl)piperidine-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1C2=C(CN1)SC(=N2)Br.Br

DOS

IR

Vibrations