Geometry & MOs

Info

ID:	395106
PubChem CID:	135024674
Reduced:	NSO2H25C27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	549.290589
ΔH_f, kcal/mol:	19.68
Dipole, Da:	5.04
IP(EA), eV:	-9.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(R)-[1-(anthracen-9-ylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-phenylmethoxymethyl]quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations