Geometry & MOs

Info

ID:	23556
PubChem CID:	604676
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	6.12
IP(EA), eV:	-8.67(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methanol

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=[N+](C=C3)[O-])OC)O

DOS

IR

Vibrations