Geometry & MOs

Info

ID:	293824
PubChem CID:	117403685
Reduced:	ClNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	259.0008
ΔH_f, kcal/mol:	-57.05
Dipole, Da:	3.18
IP(EA), eV:	-8.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[3-bromo-4-(fluoromethyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CNCC(=O)C1=CC(=C(C(=C1)Cl)OC)SC

DOS

IR

Vibrations