Geometry & MOs

Info

ID:	46299
PubChem CID:	10523783
Reduced:	NSO4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	379.264192
ΔH_f, kcal/mol:	-156.66
Dipole, Da:	4.29
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidin-1-ium;chloride

Drug info:

PubChemData

Smile

CCCC[C@]1(C[C@@H]2C3(CC[C@H]1N2C)OCCO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations