Geometry & MOs

Info

ID:

314136

PubChem CID:

126620569

Reduced:

NH47C65 (1)

Stoich.:

AB47C65 (1)

Weight, g/mol:

739.3239

ΔHf, kcal/mol:

267.65

Dipole, Da:

1.87

IP(EA), eV:

 -8.09(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,3Z)-1,4-bis(4-naphthalen-1-ylphenyl)-3-[2-(4-naphthalen-1-ylphenyl)ethylidene]-2-prop-2-enylidenepyrrole

Drug info:

PubChemData

Smile

CC12CC=C(C=C1C=CC=C2)C3=CC(=C(C=C3)C4=CC5=C(C=C4)N(C=C5C6=C(C=C(C=C6)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations