Geometry & MOs

Info

ID:	23086
PubChem CID:	601740
Reduced:	BrH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	339.92853
ΔH_f, kcal/mol:	73.47
Dipole, Da:	0.72
IP(EA), eV:	-9.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-6-(6-bromocyclohepta-1,3,5-trien-1-yl)cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

C1C(=CC=CC=C1Br)C2=CC=CC=C(C2)Br

DOS

IR

Vibrations