Geometry & MOs

Info

ID:	165096
PubChem CID:	74499976
Reduced:	SN3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	341.222903
ΔH_f, kcal/mol:	60.04
Dipole, Da:	3.52
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N,3,5-trimethyl-N-[1-(2-phenylethyl)piperidin-1-ium-3-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2C1NNC2C3=CC=CC4=CC=CC=C43)C5CCSCC5

DOS

IR

Vibrations