Geometry & MOs

Info

ID:

442538

PubChem CID:

135252718

Reduced:

ON4H24C42 (1)

Stoich.:

AB4C24D42 (1)

Weight, g/mol:

539.17461

ΔHf, kcal/mol:

207.17

Dipole, Da:

3.41

IP(EA), eV:

 -8.12(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[4-[4-(2-phenyl-1,3-oxazol-4-yl)phenyl]pyrrolo[3,2-c]pyridin-1-yl]phenyl]benzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC(=NC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)N6C7=CC=CC=C7C8=CC9=C(C=C86)OC1=CC=CC=C19

DOS

IR

Vibrations