Geometry & MOs

Info

ID:	164807
PubChem CID:	74457084
Reduced:	SO2N3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	369.215373
ΔH_f, kcal/mol:	22.75
Dipole, Da:	13.68
IP(EA), eV:	-5.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-pyrrolidin-1-yl-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C[NH+](C)CC2=CC(=CC=C2)OCC(C[NH+]3CCC4=CC=CC=C4C3)O

DOS

IR

Vibrations