Geometry & MOs

Info

ID:	375044
PubChem CID:	131465340
Reduced:	NO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-200.8
Dipole, Da:	4.32
IP(EA), eV:	-10.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-amino-3-bromo-2-(trifluoromethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1C(F)(F)F)C=O

DOS

IR

Vibrations