Geometry & MOs

Info

ID:

394240

PubChem CID:

135022605

Reduced:

ON4H28C31 (1)

Stoich.:

AB4C28D31 (1)

Weight, g/mol:

395.187186

ΔHf, kcal/mol:

163.65

Dipole, Da:

12.06

IP(EA), eV:

 -7.06(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[(4Z)-2-(3,5-dimethyl-1H-pyrrol-2-yl)-3-hydroxy-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]cyclobut-2-en-1-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C/C3=C(/C(=C/C4=[N+](C5=CC=CC=C5C4(C)C)C)/C3=O)C(=C=[N-])C#N)C)C

DOS

IR

Vibrations