Geometry & MOs

Info

ID:	229262
PubChem CID:	87567287
Reduced:	SiZrCl2C28H38 (1)
Stoich.:	ABC2D28E38 (1)
Weight, g/mol:	235.05718
ΔH_f, kcal/mol:	-9.83
Dipole, Da:	1.2
IP(EA), eV:	-6.62(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-ylpiperidin-1-ium-3-one;bromide

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.[Si]=[Zr].Cl.Cl

DOS

IR

Vibrations