Geometry & MOs

Info

ID:	65268
PubChem CID:	29211851
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	344.233802
ΔH_f, kcal/mol:	-60.93
Dipole, Da:	6.94
IP(EA), eV:	-9.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N/N=C\1/C[C@H]2CC[C@@]1(C2(C)C)C)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations