Geometry & MOs

Info

ID:	337175
PubChem CID:	127256740
Reduced:	OCl4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	549.64236
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	1.99
IP(EA), eV:	-9.78(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,5,6,6-pentabromo-3-phenylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

COC1(C(=CC(=CC1(Cl)Cl)C2=CC=CC=C2)Cl)Cl

DOS

IR

Vibrations