Geometry & MOs

Info

ID:

429834

PubChem CID:

135169887

Reduced:

O2N3F4H9C14 (1)

Stoich.:

A2B3C4D9E14 (1)

Weight, g/mol:

487.124754

ΔHf, kcal/mol:

-185.44

Dipole, Da:

5.18

IP(EA), eV:

 -9.61(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-3-N-[5-chloro-2-methyl-6-(triazol-2-yl)pyridin-3-yl]-2-[N-pyrazolo[1,5-a]pyridin-4-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

C1C(=C(N(N1)C2=C3C=CC=C(C3=NC=C2)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations