Geometry & MOs

Info

ID:	125078
PubChem CID:	50909286
Reduced:	CO2Hg3H5 (3)
Stoich.:	AB2C3D5 (3)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-186.27
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.878167
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide

Drug info:

PubChemData

Smile

C([Hg])([Hg])[Hg].C([Hg])([Hg])[Hg].C([Hg])([Hg])[Hg].O.O.O.O.O.O

DOS

IR

Vibrations