Geometry & MOs

Info

ID:

429656

PubChem CID:

135169706

Reduced:

ClF3N4H20C22 (1)

Stoich.:

AB3C4D20E22 (1)

Weight, g/mol:

467.154224

ΔHf, kcal/mol:

-35.76

Dipole, Da:

7.37

IP(EA), eV:

 -8.54(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(3Z)-4-(3-amino-2-methanimidoylpyridin-4-yl)imino-3-(aminomethylidene)-5,5,5-trifluoropent-1-en-2-yl]amino]-2-(triazol-2-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN=C/C(=C\C(=C)Cl)/NC(=C)/C(=C/N)/C(=NC1=CC=CC2=CC=CC=C21)C(F)(F)F

DOS

IR

Vibrations