Geometry & MOs

Info

ID:

383133

PubChem CID:

134974694

Reduced:

N6O14C35H51 (1)

Stoich.:

A6B14C35D51 (1)

Weight, g/mol:

206.151788

ΔHf, kcal/mol:

-590.1

Dipole, Da:

10.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.953189

Charge, e:

 0

Chem-info

IUPAC name:

2,3,5,6-tetradeuterio-4-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]aniline

Drug info:

PubChemData

Smile

CC(C(C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1CC2=CC(=C(C=C2[N+](C1)(C)C)O)O)NC(=O)C[C@@H](C[C@@H]([C@H](CO)NC(=O)C3=CC=CC=C3O)O)O)O

DOS

IR

Vibrations