Geometry & MOs

Info

ID:	2799
PubChem CID:	8577
Reduced:	N4C6H6O7 (1)
Stoich.:	A4B6C6D7 (1)
Weight, g/mol:	246.023649
ΔH_f, kcal/mol:	-54.39
Dipole, Da:	12.18
IP(EA), eV:	-10.12(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;2,4,6-trinitrophenolate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+]

DOS

IR

Vibrations