Geometry & MOs

Info

ID:	1761
PubChem CID:	5008
Reduced:	NO2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	324.196354
ΔH_f, kcal/mol:	-49.14
Dipole, Da:	4.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137191
Charge, e:	1

Chem-info

IUPAC name:

(5-ethenyl-2-bicyclo[2.2.2]octanyl)-(6-methoxyquinolin-1-ium-4-yl)methanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C[NH+]=C2C=C1)C(C3CC4CCC3CC4C=C)O

DOS

IR

Vibrations