Geometry & MOs

Info

ID:	208001
PubChem CID:	80478965
Reduced:	ON2S2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	356.01697
ΔH_f, kcal/mol:	24.82
Dipole, Da:	4.07
IP(EA), eV:	-9.39(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)SC(=N2)C3=CN=CS3

DOS

IR

Vibrations