Geometry & MOs

Info

ID:

300607

PubChem CID:

123045055

Reduced:

NO3C16H18 (2)

Stoich.:

AB3C16D18 (2)

Weight, g/mol:

523.199488

ΔHf, kcal/mol:

-169.2

Dipole, Da:

8.38

IP(EA), eV:

 -7.83(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-1-naphthalen-1-ylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OCC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)O

DOS

IR

Vibrations