Geometry & MOs

Info

ID:	373035
PubChem CID:	131308875
Reduced:	NO2F3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	219.050713
ΔH_f, kcal/mol:	-229.92
Dipole, Da:	2.19
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-hydroxy-2-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations