Geometry & MOs

Info

ID:

300673

PubChem CID:

123050756

Reduced:

NO3H11C14 (2)

Stoich.:

AB3C11D14 (2)

Weight, g/mol:

498.215472

ΔHf, kcal/mol:

-115.38

Dipole, Da:

13.18

IP(EA), eV:

 -8.94(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)C#N)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations