Geometry & MOs

Info

ID:

317477

PubChem CID:

126638444

Reduced:

N3O3H19C20 (1)

Stoich.:

A3B3C19D20 (1)

Weight, g/mol:

991.580449

ΔHf, kcal/mol:

-57.26

Dipole, Da:

4.42

IP(EA), eV:

 -8.82(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[3-[(Z)-2-[6-(4-tert-butylphenyl)pyridin-3-yl]ethenyl]-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridin-3-yl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(O1)C=NC=C3)NC(=C2C4=CC(=CC=C4)OC)C(=O)N)C

DOS

IR

Vibrations