Geometry & MOs

Info

ID:	294899
PubChem CID:	117503061
Reduced:	BrClO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	316.03419
ΔH_f, kcal/mol:	-72.29
Dipole, Da:	5.15
IP(EA), eV:	-9.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-bromo-3-chloro-2-methylphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)Br)C(CC(=O)O)C2CC2

DOS

IR

Vibrations