Geometry & MOs

Info

ID:	411882
PubChem CID:	135084727
Reduced:	BrON2C37H39 (1)
Stoich.:	ABC2D37E39 (1)
Weight, g/mol:	527.306239
ΔH_f, kcal/mol:	97.98
Dipole, Da:	13.18
IP(EA), eV:	-6.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(R)-[1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline

Drug info:

PubChemData

Smile

CCC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)OCC=C)CC5=C6C=CC=CC6=CC7=CC=CC=C75.[Br-]

DOS

IR

Vibrations