Geometry & MOs

Info

ID:	229154
PubChem CID:	87567074
Reduced:	BrNPF2O4C12H15 (1)
Stoich.:	ABCD2E4F12G15 (1)
Weight, g/mol:	355.18173
ΔH_f, kcal/mol:	-321.37
Dipole, Da:	5.57
IP(EA), eV:	-10.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dipropylpiperidin-1-ium-3-one;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)C(=O)N)Br)(F)F)O

DOS

IR

Vibrations