Geometry & MOs

Info

ID:

309895

PubChem CID:

126565944

Reduced:

FNOC13H16 (1)

Stoich.:

ABCD13E16 (1)

Weight, g/mol:

670.204114

ΔHf, kcal/mol:

-89.11

Dipole, Da:

5.52

IP(EA), eV:

 -8.65(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[(3E)-3-[cyano-(6-fluoroquinoxalin-2-yl)methylidene]-1-(4-methoxyphenyl)-4-(2-methylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]-2-(6-fluoroquinoxalin-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)N2CCCC2=O)F

DOS

IR

Vibrations