Geometry & MOs

Info

ID:

5778

PubChem CID:

13775

Reduced:

N2O3H4C6 (2)

Stoich.:

A2B3C4D6 (2)

Weight, g/mol:

304.044384

ΔHf, kcal/mol:

33.33

Dipole, Da:

7.47

IP(EA), eV:

-10.08(-2.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2,4-dinitro-N-(3-nitrophenyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations