Geometry & MOs

Info

ID:

312385

PubChem CID:

126604545

Reduced:

N4O8C25H56 (1)

Stoich.:

A4B8C25D56 (1)

Weight, g/mol:

930.490465

ΔHf, kcal/mol:

-387.46

Dipole, Da:

1.94

IP(EA), eV:

 -9.27(1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

1-[3-(dimethylamino)propyl]-3-[[4-[[4-[[1-[3-(dimethylamino)propyl]-4-methyl-2-oxo-5-pyridin-1-ium-1-ylpyridin-3-yl]diazenyl]-3-methoxyphenyl]-phenylmethyl]-2-methoxyphenyl]diazenyl]-6-methoxy-4-methyl-5-pyridin-1-ium-1-ylpyridin-2-one

Drug info:

PubChemData

Smile

C(C[C@@H](NCCCOCCOCCOCCCN)O)CC(NCCCOCCOCCOCCCN)O

DOS

IR

Vibrations