Geometry & MOs

Info

ID:

382806

PubChem CID:

134974167

Reduced:

N2O3C28H37 (1)

Stoich.:

A2B3C28D37 (1)

Weight, g/mol:

687.398195

ΔHf, kcal/mol:

-76.73

Dipole, Da:

4.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.990413

Charge, e:

 1

Chem-info

IUPAC name:

tert-butyl-[4-[2-ethoxy-5-ethyl-4-methoxy-3-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]hexoxy]-diphenylsilane

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)C[N+]2=CC=C(C=C2)C3=CC=NC=C3)OCC)C(CC)CCCO

DOS

IR

Vibrations