Geometry & MOs

Info

ID:

441962

PubChem CID:

135247151

Reduced:

ON3H31C47 (1)

Stoich.:

AB3C31D47 (1)

Weight, g/mol:

401.21435

ΔHf, kcal/mol:

203.76

Dipole, Da:

1.18

IP(EA), eV:

 -8.18(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-3,3-dimethyl-2-[(2E)-2-[4-(2-methylphenyl)phenyl]penta-2,4-dienylidene]-1H-indene-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=CC4=CC=CC=C4C(=C3O2)C5=CC=C(C=C5)C6=CC7=CC=CC=C7C=C6C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations