Geometry & MOs

Info

ID:

82044

PubChem CID:

49855519

Reduced:

ON2C6H6 (4)

Stoich.:

AB2C6D6 (4)

Weight, g/mol:

507.10176

ΔHf, kcal/mol:

19.23

Dipole, Da:

10.14

IP(EA), eV:

 -8.63(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-[4-(trifluoromethyl)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CN(CCOC)C(=O)CN1C=C(C(=N1)C2=C(C=CC(=C2)C#N)OC)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations