Geometry & MOs

Info

ID:	6107
PubChem CID:	67052
Reduced:	ClNO2F3H3C7 (1)
Stoich.:	ABC2D3E3F7 (1)
Weight, g/mol:	224.98044
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	5.34
IP(EA), eV:	-10.82(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-nitro-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations