Geometry & MOs

Info

ID:

448981

PubChem CID:

135294961

Reduced:

F2O2N5C31H39 (1)

Stoich.:

A2B2C5D31E39 (1)

Weight, g/mol:

552.350449

ΔHf, kcal/mol:

-94.76

Dipole, Da:

5.01

IP(EA), eV:

 -8.88(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-1-(4-but-1-en-2-ylphenyl)-3-methyl-4-phenyl-4-pyridin-2-ylbut-1-enyl]-5-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]-3-methylpyridine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CC(CC3)CC4CCC(CC4)(F)F)C5=CN(N=C5)CCN6CCOCC6)N=C2

DOS

IR

Vibrations