Geometry & MOs

Info

ID:

162845

PubChem CID:

57578069

Reduced:

NOC29H30 (2)

Stoich.:

ABC29D30 (2)

Weight, g/mol:

834.439658

ΔHf, kcal/mol:

44.9

Dipole, Da:

5.08

IP(EA), eV:

 -8.05(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4E)-5-[7-[bis(9,9-dibutylfluoren-2-yl)amino]-2-oxochromen-3-yl]-2-cyanopenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(CCCC)CCCC)C7=CC=C(C8=CC=CC=C87)/C=C/C=C(\C#N)/C(=O)O)CCCC

DOS

IR

Vibrations