Geometry & MOs

Info

ID:	54871
PubChem CID:	17389454
Reduced:	ClON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	356.07495
ΔH_f, kcal/mol:	-45.4
Dipole, Da:	6.8
IP(EA), eV:	-8.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methylpiperidin-1-ium-1-yl)methyl]-1H-indole;iodide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CN=C3N2CCCCC3.Cl

DOS

IR

Vibrations