Geometry & MOs

Info

ID:	229521
PubChem CID:	87567925
Reduced:	O10C13H26 (1)
Stoich.:	A10B13C26 (1)
Weight, g/mol:	263.08848
ΔH_f, kcal/mol:	-458.82
Dipole, Da:	6.66
IP(EA), eV:	-10.23(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dipropylpiperidin-1-ium-3-one;bromide

Drug info:

PubChemData

Smile

COC(CC(=O)O)C(=O)O.C(COCCOCCOCCO)O

DOS

IR

Vibrations