Geometry & MOs

Info

ID:

429614

PubChem CID:

135169663

Reduced:

O2F3N8H17C24 (1)

Stoich.:

A2B3C8D17E24 (1)

Weight, g/mol:

491.142991

ΔHf, kcal/mol:

-3.65

Dipole, Da:

4.68

IP(EA), eV:

 -8.43(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-3-(4-aminonaphthalen-1-yl)imino-N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=N1)N2NCC=N2)C#C)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CNC5=O)C(F)(F)F

DOS

IR

Vibrations