Geometry & MOs

Info

ID:	174950
PubChem CID:	75837351
Reduced:	O2N4C17H25 (1)
Stoich.:	A2B4C17D25 (1)
Weight, g/mol:	329.246713
ΔH_f, kcal/mol:	-25.34
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007171
Charge, e:	2

Chem-info

IUPAC name:

[1-[2-[(6-ethyl-4-methylquinolin-1-ium-2-yl)amino]ethyl]piperidin-1-ium-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)CNC(=O)C2=CC=C(O2)C(C)[NH+]3CCCCC3

DOS

IR

Vibrations