Geometry & MOs

Info

ID:	397630
PubChem CID:	135030491
Reduced:	FNH12C15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	402.254538
ΔH_f, kcal/mol:	3.71
Dipole, Da:	3.08
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(S)-[(2S,4S,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-3-yl)methyl]cyclohex-2-en-1-imine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C32)CF

DOS

IR

Vibrations