Geometry & MOs

Info

ID:	2345
PubChem CID:	6953
Reduced:	ClH2N3C6O6 (1)
Stoich.:	AB2C3D6E6 (1)
Weight, g/mol:	246.963212
ΔH_f, kcal/mol:	16.88
Dipole, Da:	0.57
IP(EA), eV:	-11.54(-2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1,3,5-trinitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations