Geometry & MOs

Info

ID:	228635
PubChem CID:	87565456
Reduced:	O3N5F6C20H21 (1)
Stoich.:	A3B5C6D20E21 (1)
Weight, g/mol:	291.11978
ΔH_f, kcal/mol:	-336.04
Dipole, Da:	7.52
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1C2=NC3=C(C=C2)C(N(C(N3OC(=O)C(F)(F)F)N)C)N)C(F)(F)F

DOS

IR

Vibrations