Geometry & MOs

Info

ID:	375046
PubChem CID:	131465354
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-220.53
Dipole, Da:	3.56
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-4-bromo-2-(trifluoromethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1Br)OC(F)(F)F)N

DOS

IR

Vibrations