Geometry & MOs

Info

ID:	229221
PubChem CID:	87567213
Reduced:	FSO3N5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	253.098394
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	5.42
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl sulfate;1-propan-2-ylpiperidin-1-ium-3-one

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN=NN4CCCCC(=O)NO)/C3)S

DOS

IR

Vibrations