Geometry & MOs

Info

ID:

379606

PubChem CID:

134449731

Reduced:

NH25C33 (2)

Stoich.:

AB25C33 (2)

Weight, g/mol:

634.470958

ΔHf, kcal/mol:

300.96

Dipole, Da:

0.99

IP(EA), eV:

 -8.14(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[6-[2-(2,5-dioxopyrrol-1-yl)hexyl]-4-hexyl-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]hexyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C=C/C=C\C(=C\N(C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4)\C5=CC=C(C=C5)C6=CC=CC=C6N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations