Geometry & MOs

Info

ID:	260486
PubChem CID:	103193382
Reduced:	BrN2O2F3C13H14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	355.01432
ΔH_f, kcal/mol:	-233.68
Dipole, Da:	4.56
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-2-(trifluoromethoxy)anilino]-N'-hydroxy-2-methylpropanimidamide

Drug info:

PubChemData

Smile

CC1(CCCN1)C(=O)NC2=C(C=C(C=C2)Br)OC(F)(F)F

DOS

IR

Vibrations