Geometry & MOs

Info

ID:	79624
PubChem CID:	49829764
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	424.260017
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	1.62
IP(EA), eV:	-8.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]-N-(oxolan-2-ylmethyl)pent-4-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C1=CC=CS1)C2=CNC3=CC=CC=C32)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations