Geometry & MOs

Info

ID:

429866

PubChem CID:

135169919

Reduced:

ClF3N9H23C25 (1)

Stoich.:

AB3C9D23E25 (1)

Weight, g/mol:

508.194692

ΔHf, kcal/mol:

42.39

Dipole, Da:

7.82

IP(EA), eV:

 -8.8(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-N-[5-methyl-6-(triazol-2-yl)pyridin-3-yl]-3-(2-propan-2-ylquinolin-4-yl)iminobutanamide

Drug info:

PubChemData

Smile

CN(C)CC1=NN(N=C1)C2=C(C=C(C=N2)NC(=C)/C(=C/N)/C(=NC3=CC=CC4=C3C=CC=N4)C(F)(F)F)Cl

DOS

IR

Vibrations