Geometry & MOs

Info

ID:	228636
PubChem CID:	87565457
Reduced:	BrNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	212.201439
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	11.56
IP(EA), eV:	-8.3(0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,1-bis(2-methylpropyl)piperidin-1-ium-3-one

Drug info:

PubChemData

Smile

CC(C)C[N+]1(CCCC(=O)C1)CC(C)C.[Br-]

DOS

IR

Vibrations