Geometry & MOs

Info

ID:

429758

PubChem CID:

135169810

Reduced:

O2F3N8H19C22 (1)

Stoich.:

A2B3C8D19E22 (1)

Weight, g/mol:

496.13832

ΔHf, kcal/mol:

-56.62

Dipole, Da:

7.87

IP(EA), eV:

 -7.84(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-1-[(E)-1-(3-fluoro-2-methylphenyl)prop-1-enyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(N=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3C=CC=N4)C(F)(F)F)N(/C=C\N)N

DOS

IR

Vibrations