Geometry & MOs

Info

ID:	168380
PubChem CID:	74959799
Reduced:	SO4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	346.253475
ΔH_f, kcal/mol:	-148.38
Dipole, Da:	4.36
IP(EA), eV:	-8.61(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2,2-bis(2-methylphenyl)ethenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C=C1CCCC=C1)(C(=O)OCC2=CC=CC=C2)SCCC(OC)OC

DOS

IR

Vibrations