Geometry & MOs

Info

ID:	325182
PubChem CID:	126681824
Reduced:	FO2N6C34H39 (1)
Stoich.:	AB2C6D34E39 (1)
Weight, g/mol:	446.363419
ΔH_f, kcal/mol:	-16.22
Dipole, Da:	7.1
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1-ethoxyethenyl)-1-methyl-1-[2-[2-(4-octylphenoxy)ethoxy]ethyl]piperidin-1-ium

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)(C4=CN=CC=C4)NC(=O)CC(C)C)F)C5=CC=CC(=C5)CN

DOS

IR

Vibrations