Geometry & MOs

Info

ID:

82653

PubChem CID:

49856288

Reduced:

N2O2C13H13 (2)

Stoich.:

A2B2C13D13 (2)

Weight, g/mol:

510.19032

ΔHf, kcal/mol:

-59.96

Dipole, Da:

5.09

IP(EA), eV:

 -9.21(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)[C@@H]2/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C(=O)N2C4=NN=C(C=C4)C

DOS

IR

Vibrations