Geometry & MOs

Info

ID:

229630

PubChem CID:

87568238

Reduced:

FN2O3C21H21 (1)

Stoich.:

AB2C3D21E21 (1)

Weight, g/mol:

1332.204387

ΔHf, kcal/mol:

-81.95

Dipole, Da:

5.97

IP(EA), eV:

 -9.47(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-2-(2,5-didodecylphenyl)ethenyl]-1-dodecyl-5-[(E)-2-[4-[(Z)-2-[1-dodecyl-5-[(E)-prop-1-enyl]pyrrol-2-yl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyrrole

Drug info:

PubChemData

Smile

CC(C)NC(=O)/C(=C\C1=CC=C(C=C1)/C=C/C(=O)NO)/C2=CC(=CC=C2)F

DOS

IR

Vibrations