Geometry & MOs

Info

ID:	282396
PubChem CID:	103925204
Reduced:	BrNF3O3H11C12 (1)
Stoich.:	ABC3D3E11F12 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-255.8
Dipole, Da:	5.87
IP(EA), eV:	-9.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-methoxy-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C(=O)C1=C(C=C(C=C1)Br)C(F)(F)F

DOS

IR

Vibrations