Geometry & MOs

Info

ID:	374447
PubChem CID:	131329611
Reduced:	NOSF2H5C11 (1)
Stoich.:	ABCD2E5F11 (1)
Weight, g/mol:	250.075154
ΔH_f, kcal/mol:	-53.25
Dipole, Da:	4.13
IP(EA), eV:	-9.56(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]piperazine

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=CS2)C#N)C(F)F)C=O

DOS

IR

Vibrations