Geometry & MOs

Info

ID:

128222

PubChem CID:

51036157

Reduced:

O2N4C23H28 (1)

Stoich.:

A2B4C23D28 (1)

Weight, g/mol:

486.19032

ΔHf, kcal/mol:

-32.39

Dipole, Da:

1.89

IP(EA), eV:

 -8.13(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5Z)-5-[[2-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(CN1C2=C(CCN(C2)C)C3=C1C=CC(=C3)C)C4=NC=NC=C4

DOS

IR

Vibrations