Geometry & MOs

Info

ID:	384154
PubChem CID:	134976440
Reduced:	H16C27 (1)
Stoich.:	A16B27 (1)
Weight, g/mol:	537.97548
ΔH_f, kcal/mol:	452.13
Dipole, Da:	11.59
IP(EA), eV:	-6.67(-3.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[6-(4-bromophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene

Drug info:

PubChemData

Smile

[CH]1[CH][CH][C]([CH]1)C(=C=C=C=C=C=C([C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4

DOS

IR

Vibrations