Geometry & MOs

Info

ID:	375045
PubChem CID:	131465353
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-221.65
Dipole, Da:	3.25
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1OC(F)(F)F)Br)N

DOS

IR

Vibrations