Geometry & MOs

Info

ID:	229449
PubChem CID:	87567689
Reduced:	FOSCl2N2C22H25 (1)
Stoich.:	ABCD2E2F22G25 (1)
Weight, g/mol:	323.176644
ΔH_f, kcal/mol:	-71.1
Dipole, Da:	4.27
IP(EA), eV:	-9.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CC=NC=C4)/C3)S.Cl.Cl

DOS

IR

Vibrations