Geometry & MOs

Info

ID:

298825

PubChem CID:

117659447

Reduced:

N2O11C31H44 (1)

Stoich.:

A2B11C31D44 (1)

Weight, g/mol:

272.178546

ΔHf, kcal/mol:

-430.61

Dipole, Da:

3.38

IP(EA), eV:

 -8.29(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,2,3,4,5-pentadeuterio-6-[2-fluoro-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H]2C[C@@H]3C1N(C2)CCC4=C3N(C5=C4C=C(C=C5)O[C@@H]6[C@@H](C([C@@H](C(O6)CO)O)O)O)[C@@H]7C([C@H]([C@@H]([C@@H](O7)CO)O)O)O

DOS

IR

Vibrations