Geometry & MOs

Info

ID:	28119
PubChem CID:	825711
Reduced:	BrNO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	338.051441
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	3.91
IP(EA), eV:	-9.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-nitro-1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]methanimine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CON=C1C2=CC=C(C=C2)Br

DOS

IR

Vibrations