Geometry & MOs

Info

ID:

299677

PubChem CID:

117688507

Reduced:

O2F5N6C19H19 (1)

Stoich.:

A2B5C6D19E19 (1)

Weight, g/mol:

675.222366

ΔHf, kcal/mol:

-252.21

Dipole, Da:

3.18

IP(EA), eV:

 -9.14(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-[(2-cyano-4-nitrophenyl)diazenyl]-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylphenyl]diazenyl]-3-methylthiophene-2,4-dicarbonitrile

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)C2=NC(=CC(=N2)N3CC4C(C3CO4)F)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations