Geometry & MOs

Info

ID:	133777
PubChem CID:	51588554
Reduced:	N3C15H28 (1)
Stoich.:	A3B15C28 (1)
Weight, g/mol:	297.068472
ΔH_f, kcal/mol:	21.5
Dipole, Da:	2.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752982
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-2-(1,1,2,2-tetrafluoroethyl)imidazolidin-1-ium-2-yl]-1-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C1CC[NH+]2[C@H](C1)N3CCCC[C@@H]3[C@H]4[C@@H]2NCCC4

DOS

IR

Vibrations