Geometry & MOs

Info

ID:

328120

PubChem CID:

126692134

Reduced:

F3O3N5H20C25 (1)

Stoich.:

A3B3C5D20E25 (1)

Weight, g/mol:

415.298748

ΔHf, kcal/mol:

-108.31

Dipole, Da:

3.68

IP(EA), eV:

 -9.07(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3E)-2,4-dimethylhexa-1,3-dien-3-yl]-2-N-ethenyl-3-[1-(2-ethylpyridin-3-yl)-2-methylprop-1-enyl]-1-N-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC2=CC(=C3C(=C2)NC(=O)N3)C(C4=CC(C=C(C=C4F)F)F)(C5=NC=CN=C5)O

DOS

IR

Vibrations