Geometry & MOs

Info

ID:	3575
PubChem CID:	9809
Reduced:	ClH2N2F3O4C7 (1)
Stoich.:	AB2C2D3E4F7 (1)
Weight, g/mol:	269.965519
ΔH_f, kcal/mol:	-143.29
Dipole, Da:	1.19
IP(EA), eV:	-11.33(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations