Geometry & MOs

Info

ID:	229197
PubChem CID:	87567162
Reduced:	SiO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	383.21303
ΔH_f, kcal/mol:	-150.49
Dipole, Da:	3.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753424
Charge, e:	0

Chem-info

IUPAC name:

1,1-dibutylpiperidin-1-ium-3-one;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCO[Si](C)CCCOC(=O)C(=C)C

DOS

IR

Vibrations