Geometry & MOs

Info

ID:	393663
PubChem CID:	135021450
Reduced:	SN2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	328.206525
ΔH_f, kcal/mol:	79.51
Dipole, Da:	1.62
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-1-(anthracen-9-ylmethyl)-3-ethenyl-1-azoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NC=CC=N3

DOS

IR

Vibrations