Geometry & MOs

Info

ID:	382132
PubChem CID:	134973082
Reduced:	SN3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	487.274939
ΔH_f, kcal/mol:	93.09
Dipole, Da:	5.85
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=S)N[C@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)N

DOS

IR

Vibrations