Geometry & MOs

Info

ID:	229209
PubChem CID:	87567186
Reduced:	F2N2O3H20C25 (1)
Stoich.:	A2B2C3D20E25 (1)
Weight, g/mol:	323.176644
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	1.37
IP(EA), eV:	-8.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1C2=C(C(=C)C(=C)N(C=C2)C(=O)C3=CC(=C(C=C3)F)F)C4=CC=CC=C41

DOS

IR

Vibrations