Geometry & MOs

Info

ID:	229311
PubChem CID:	87567392
Reduced:	FN2O4H27C30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	295.145344
ΔH_f, kcal/mol:	-103.45
Dipole, Da:	0.92
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-di(propan-2-yl)piperidin-1-ium-4-one;methyl sulfate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)/C=C(/C3=CC=C(C=C3)F)\C(=O)NC4CC4

DOS

IR

Vibrations