Geometry & MOs

Info

ID:

397311

PubChem CID:

135030025

Reduced:

H7C10 (6)

Stoich.:

A7B10 (6)

Weight, g/mol:

600.220164

ΔHf, kcal/mol:

337.74

Dipole, Da:

0.2

IP(EA), eV:

 -8.09(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1H-1,10-phenanthrolin-2-ylidene)naphthalen-2-one

Drug info:

PubChemData

Smile

CCCC[C@@]12C3=CC=CC=C3C4=C1C\5=C(C6=CC=CC=C6/C5=C/7\C8=CC=CC=C8C9=C7C1=C(C3=CC=CC=C3[C@@]21CCCC)C1=C9C2=CC=CC=C21)C1=C4C2=CC=CC=C21

DOS

IR

Vibrations