Geometry & MOs

Info

ID:	269647
PubChem CID:	103618450
Reduced:	BrIN2O2F3H11C12 (1)
Stoich.:	ABC2D2E3F11G12 (1)
Weight, g/mol:	385.96445
ΔH_f, kcal/mol:	-197.66
Dipole, Da:	5.85
IP(EA), eV:	-9.84(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC(F)(F)F)C(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations