Geometry & MOs

Info

ID:	390592
PubChem CID:	134999866
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	436.052762
ΔH_f, kcal/mol:	41.86
Dipole, Da:	2.37
IP(EA), eV:	-8.53(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoromethanesulfonate;1-[1,1,1-trifluoro-3-(2-nitrophenyl)propan-2-ylidene]pyrrolidin-1-ium

Drug info:

PubChemData

Smile

CN(C)C1C2=CC=CC=C2SC(=N1)N3CCCC3

DOS

IR

Vibrations