Geometry & MOs

Info

ID:

429654

PubChem CID:

135169704

Reduced:

F3N8H23C25 (1)

Stoich.:

A3B8C23D25 (1)

Weight, g/mol:

465.127341

ΔHf, kcal/mol:

25.95

Dipole, Da:

5.75

IP(EA), eV:

 -8.71(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-3-(5H-cyclopenta[b]pyridin-4-ylimino)-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CCC1=NN(N=C1)C2=NC=C(C=C2C)NC(=C)/C(=C/N)/C(=NC3=CC=CC4=C3C=CC=N4)C(F)(F)F

DOS

IR

Vibrations