Geometry & MOs

Info

ID:	378053
PubChem CID:	134224122
Reduced:	BrC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	522.03808
ΔH_f, kcal/mol:	12.29
Dipole, Da:	0.08
IP(EA), eV:	-9.19(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,11-bis(4-bromophenyl)-6,11-dimethylpentacyclo[7.5.0.02,8.03,14.04,13]tetradeca-4,9-diene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)C2=C(C=C(C(=C2)C)Br)C

DOS

IR

Vibrations