Geometry & MOs

Info

ID:	274314
PubChem CID:	103808523
Reduced:	BrFON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	343.06955
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	2.92
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=C(C=CC(=C1)F)Br)C2CCCNC2

DOS

IR

Vibrations