Geometry & MOs

Info

ID:	382909
PubChem CID:	134974344
Reduced:	ClHgO4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	353.91162
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	2.04
IP(EA), eV:	-9.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-tert-butyl-6-iodocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1CCC(C(C1COC(=O)C2=CC=CC=C2)(C)COC(=O)C3=CC=CC=C3)[Hg]Cl

DOS

IR

Vibrations