Geometry & MOs

Info

ID:	294893
PubChem CID:	117502771
Reduced:	BrFO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	316.05865
ΔH_f, kcal/mol:	-143.5
Dipole, Da:	3.09
IP(EA), eV:	-9.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromo-4-fluoro-2-methoxyphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations