Geometry & MOs

Info

ID:	229281
PubChem CID:	87567324
Reduced:	NC8Br19 (1)
Stoich.:	AB8C19 (1)
Weight, g/mol:	326.142604
ΔH_f, kcal/mol:	77.12
Dipole, Da:	0.9
IP(EA), eV:	-9.41(-2.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-butan-2-yl-3-oxopiperidin-1-ium-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C(C(C(C(C(Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(C(C(C(N(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br

DOS

IR

Vibrations