Geometry & MOs

Info

ID:

162884

PubChem CID:

57578270

Reduced:

N4H44C77 (1)

Stoich.:

A4B44C77 (1)

Weight, g/mol:

276.089878

ΔHf, kcal/mol:

715.75

Dipole, Da:

7.13

IP(EA), eV:

 -7.58(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC5=CC=CC=C5C=C4C6=C(C7=[N+]8C(=C(C9=C1C=C4C=CC=CC4=CC1=C1N9C8(N36)[N+]3=C2C2=CC4=CC=CC=C4C=C2C3=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C17)C1=CC=CC=C1

DOS

IR

Vibrations