Geometry & MOs

Info

ID:	229332
PubChem CID:	87567426
Reduced:	ON2C20H36 (1)
Stoich.:	AB2C20D36 (1)
Weight, g/mol:	235.05718
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	3.34
IP(EA), eV:	-8.92(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)piperidin-1-ium-3-one;bromide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2CCCCC2)C(=NC3CCCCC3)NO

DOS

IR

Vibrations