Geometry & MOs

Info

ID:	310858
PubChem CID:	126588228
Reduced:	BrIO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	676.287849
ΔH_f, kcal/mol:	-73.86
Dipole, Da:	1.86
IP(EA), eV:	-8.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z,3E)-3-[4-[2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinolin-4-yl]phenyl]penta-1,3-dienyl]methanimine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2I)CC(=O)OC)Br

DOS

IR

Vibrations