Geometry & MOs

Info

ID:

82491

PubChem CID:

49856096

Reduced:

O3N5H27C29 (1)

Stoich.:

A3B5C27D29 (1)

Weight, g/mol:

507.22704

ΔHf, kcal/mol:

25.83

Dipole, Da:

6.25

IP(EA), eV:

 -9.31(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)CN5C=CC=N5

DOS

IR

Vibrations