Geometry & MOs

Info

ID:	2346
PubChem CID:	6954
Reduced:	H3N3C6O7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	228.997099
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	1.93
IP(EA), eV:	-11.48(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trinitrophenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations