Geometry & MOs

Info

ID:

180615

PubChem CID:

76660839

Reduced:

SN2C20H25 (1)

Stoich.:

AB2C20D25 (1)

Weight, g/mol:

1294.2357

ΔHf, kcal/mol:

56.57

Dipole, Da:

1.25

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.953893

Charge, e:

0

Chem-info

IUPAC name:

dicesium;5-[9-[4-[4-(2-hydroxyethoxy)butoxymethoxy]benzene-5-id-1-yl]-2-methyl-7-(7'-methylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-yl)fluoren-9-yl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)N2CCCC2)C3=CC=[N+](C=C3)CCS

DOS

IR

Vibrations