Geometry & MOs

Info

ID:	229487
PubChem CID:	87567828
Reduced:	PF2N2O6C31H37 (1)
Stoich.:	AB2C2D6E31F37 (1)
Weight, g/mol:	291.11978
ΔH_f, kcal/mol:	-383.54
Dipole, Da:	6.8
IP(EA), eV:	-9.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)(F)F)OCC

DOS

IR

Vibrations