Geometry & MOs

Info

ID:

225382

PubChem CID:

85756588

Reduced:

NH42C59 (2)

Stoich.:

AB42C59 (2)

Weight, g/mol:

204.078644

ΔHf, kcal/mol:

535.14

Dipole, Da:

2.45

IP(EA), eV:

 -7.54(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-hydroxyphenyl) hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C(=C(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=C9C=CC=CC9=C(C1=CC=CC=C18)N(C1=CC=C(C=C1)C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations