Geometry & MOs

Info

ID:

173197

PubChem CID:

75609316

Reduced:

BrO5N7C22H24 (1)

Stoich.:

AB5C7D22E24 (1)

Weight, g/mol:

466.183892

ΔHf, kcal/mol:

-20.33

Dipole, Da:

21.27

IP(EA), eV:

 -8.02(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

trimethyl-[2-[2-[1-(4-nitroanilino)-1-oxo-3-(3-oxo-2H-quinoxalin-2-yl)propan-2-ylidene]hydrazinyl]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(=O)NN=C(CC1C(=O)N=C2C=CC=CC2=N1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

DOS

IR

Vibrations