Geometry & MOs

Info

ID:

438886

PubChem CID:

135228646

Reduced:

FION2C18H18 (1)

Stoich.:

ABCD2E18F18 (1)

Weight, g/mol:

523.392649

ΔHf, kcal/mol:

-25.06

Dipole, Da:

7.42

IP(EA), eV:

 -9.16(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,3E)-6-[4-[(Z,1Z)-1-[(3-ethenylpyrrolidin-1-yl)methylimino]but-2-en-2-yl]-5-methyl-2-(2,3,3-trimethylbutyl)phenyl]-3-ethylidene-2,4-dimethylidenehept-5-enenitrile

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)(F)I

DOS

IR

Vibrations