Geometry & MOs

Info

ID:	274310
PubChem CID:	103808504
Reduced:	BrFON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	288.02735
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	2.47
IP(EA), eV:	-9.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-bromo-5-fluorophenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCC(=O)NC2=C(C=CC(=C2)F)Br)N

DOS

IR

Vibrations