Geometry & MOs

Info

ID:	294299
PubChem CID:	117452005
Reduced:	BrClFH3O3C8 (1)
Stoich.:	ABCD3E3F8 (1)
Weight, g/mol:	281.043041
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	2.24
IP(EA), eV:	-10.37(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)Br)Cl)C(=O)C(=O)O

DOS

IR

Vibrations