Geometry & MOs

Info

ID:

429926

PubChem CID:

135169981

Reduced:

OF3N8H23C25 (1)

Stoich.:

AB3C8D23E25 (1)

Weight, g/mol:

498.129505

ΔHf, kcal/mol:

-13.29

Dipole, Da:

7.52

IP(EA), eV:

 -8.9(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=C)/C(=C/N)/C(=NC3=CN=C(C4=CC=CC=C43)C(C)O)C(F)(F)F

DOS

IR

Vibrations