Geometry & MOs

Info

ID:

429633

PubChem CID:

135169682

Reduced:

ClF3N7C24H25 (1)

Stoich.:

AB3C7D24E25 (1)

Weight, g/mol:

467.154224

ΔHf, kcal/mol:

-8.63

Dipole, Da:

5.3

IP(EA), eV:

 -8.27(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(Z)-[(Z)-[(3Z)-3-(aminomethylidene)-4-[[5-cyano-6-(triazol-2-yl)pyridin-3-yl]amino]-1,1,1-trifluoropent-4-en-2-ylidene]amino]-pyrrol-2-ylidenemethyl]methanimidamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N=C(/C(=C\N)/C(=C)NC2=CC(=C(CC2)N3N=CC=N3)Cl)C(F)(F)F)/C=C\CN

DOS

IR

Vibrations