Geometry & MOs

Info

ID:	373871
PubChem CID:	131320849
Reduced:	ClN3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	283.94599
ΔH_f, kcal/mol:	4.62
Dipole, Da:	2.14
IP(EA), eV:	-9.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-4-fluoro-5-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C(C(C1=CN=C(C=C1)Cl)N)N

DOS

IR

Vibrations