Geometry & MOs

Info

ID:	233196
PubChem CID:	87793181
Reduced:	O4N5C27H29 (1)
Stoich.:	A4B5C27D29 (1)
Weight, g/mol:	357.964244
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	2.92
IP(EA), eV:	-8.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[bis(trifluoromethylsulfonyl)methyl]pyridin-1-ium

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NCOC2=C(C=C3C=NC=NC3=C2)OC4CCN(CC4)C(=O)N5CCOCC5

DOS

IR

Vibrations