Geometry & MOs

Info

ID:

177339

PubChem CID:

76169239

Reduced:

N5O12C36H49 (1)

Stoich.:

A5B12C36D49 (1)

Weight, g/mol:

544.17467

ΔHf, kcal/mol:

-503.24

Dipole, Da:

9.34

IP(EA), eV:

 -9.03(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]-2-phenyl-1H-pyrazol-5-ylidene]-1-methylquinoline-2,4-dione

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C)C(=O)OCOC(=O)CC(C)(C)C

DOS

IR

Vibrations