Geometry & MOs

Info

ID:	399819
PubChem CID:	135042938
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	300.93615
ΔH_f, kcal/mol:	-144.5
Dipole, Da:	3.73
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-5-fluoro-2-hydroxyphenyl)-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=CC(=CC(=C2O1)CC=C)OCOC)C

DOS

IR

Vibrations