Geometry & MOs

Info

ID:	298500
PubChem CID:	117650289
Reduced:	BrH8C12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	804.407964
ΔH_f, kcal/mol:	97.76
Dipole, Da:	2.44
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-[3-(N-[(1E)-1-(5-tert-butylphenalen-1-ylidene)prop-2-enyl]-2-methylanilino)phenyl]phenoxy]phenyl]phenyl]-N,2-dimethylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=CC=C2)Br)C3=CC=CC=C3C4=CC(=CC=C4)Br

DOS

IR

Vibrations