Geometry & MOs

Info

ID:

143708

PubChem CID:

53251546

Reduced:

OSF3N6H17C19 (1)

Stoich.:

ABC3D6E17F19 (1)

Weight, g/mol:

561.348104

ΔHf, kcal/mol:

-97.05

Dipole, Da:

2.78

IP(EA), eV:

 -8.82(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4E)-4-[(1-hex-5-enyl-3,3-dimethylindol-1-ium-2-yl)methylidene]-2-[(E)-(1-hex-5-enyl-3,3-dimethylindol-2-ylidene)methyl]-3-hydroxycyclobut-2-en-1-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C2=NC=C(S2)C3=CC(=CC=C3)NC4=NC=CC(=N4)C(F)(F)F

DOS

IR

Vibrations