Geometry & MOs

Info

ID:	246227
PubChem CID:	103050563
Reduced:	BrClFC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	298.161205
ΔH_f, kcal/mol:	-65.37
Dipole, Da:	1.89
IP(EA), eV:	-9.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

C1CC(CC(C1)Br)CC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations