Geometry & MOs

Info

ID:

429772

PubChem CID:

135169824

Reduced:

ClO2F3N7H15C23 (1)

Stoich.:

AB2C3D7E15F23 (1)

Weight, g/mol:

522.246727

ΔHf, kcal/mol:

-55.3

Dipole, Da:

9.64

IP(EA), eV:

 -9.41(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-2-[N-(2-cyclopentylquinolin-5-yl)-C-(trifluoromethyl)carbonimidoyl]-3-N-[(E)-[(Z)-2-methyl-1-(triazol-2-yl)but-2-enylidene]amino]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N=C(/C(=C\N)/C(=O)NC3=CC(=C(C=C3)N4N=CC(=N4)C=O)Cl)C(F)(F)F

DOS

IR

Vibrations