Geometry & MOs

Info

ID:	232295
PubChem CID:	87575905
Reduced:	BrClOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	495.89476
ΔH_f, kcal/mol:	-0.7
Dipole, Da:	4.09
IP(EA), eV:	-9.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-6

Chem-info

IUPAC name:

1-bromo-4-[2-(4-bromophenyl)cyclopenta-2,4-dien-1-yl]benzene;cyclopentane;iron

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations