Geometry & MOs

Info

ID:	374023
PubChem CID:	131322435
Reduced:	ClINO2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	237.041291
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	2.32
IP(EA), eV:	-8.96(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1N)CC(=O)O)I)Cl

DOS

IR

Vibrations