Geometry & MOs

Info

ID:

319474

PubChem CID:

126656189

Reduced:

NSH23C37 (1)

Stoich.:

ABC23D37 (1)

Weight, g/mol:

679.173228

ΔHf, kcal/mol:

161.73

Dipole, Da:

2.05

IP(EA), eV:

 -8.19(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(10Z)-10-(1-cyanoprop-2-ynylidene)-2,3,7-tris(4-fluorophenyl)-8-(4-methylphenyl)pyrazino[2,3-g]quinoxalin-5-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4C5=C(C6=CC=CC=C46)C7=C(C=C5)C8=CC=CC=C8S7)C9=CC=CC=C92

DOS

IR

Vibrations