Geometry & MOs

Info

ID:	182071
PubChem CID:	76837543
Reduced:	BrN4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	314.152236
ΔH_f, kcal/mol:	66.28
Dipole, Da:	2.61
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

potassium;2-(4-methylbenzene-6-id-1-yl)piperidin-1-ide;pentane-2,4-diolate

Drug info:

PubChemData

Smile

CC1C(C(NN1)C2=CC=CC(=N2)C)C3=CC(=NC=C3)Br

DOS

IR

Vibrations