Geometry & MOs

Info

ID:	3829
PubChem CID:	10271
Reduced:	H2N2C3O3 (2)
Stoich.:	A2B2C3D3 (2)
Weight, g/mol:	228.013084
ΔH_f, kcal/mol:	3.45
Dipole, Da:	3.42
IP(EA), eV:	-10.82(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trinitroaniline

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations