Geometry & MOs

Info

ID:

429914

PubChem CID:

135169969

Reduced:

ClF3N9H21C23 (1)

Stoich.:

AB3C9D21E23 (1)

Weight, g/mol:

486.162723

ΔHf, kcal/mol:

44.59

Dipole, Da:

11.83

IP(EA), eV:

 -8.51(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-N-(2-morpholin-4-ylpyridin-4-yl)-3-[(1-oxo-2H-isoquinolin-5-yl)imino]butanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)N=C(/C(=C\N)/C(=C=C)NC2=CC(=C(N=C2C)N3N=CC=N3)Cl)C(F)(F)F)/C=C\N

DOS

IR

Vibrations