Geometry & MOs

Info

ID:

45133

PubChem CID:

10508241

Reduced:

FO4N8C33H39 (1)

Stoich.:

AB4C8D33E39 (1)

Weight, g/mol:

487.16525

ΔHf, kcal/mol:

-135.61

Dipole, Da:

9.89

IP(EA), eV:

 -8.65(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[4-[6-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)selenopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](CC2=CC=C(C=C2)F)C(=O)N[C@@H](CC3=CC=C(C=C3)N=C(N)N)C(=O)N[C@@H](CCCN)C(=O)N

DOS

IR

Vibrations