Geometry & MOs

Info

ID:	49110
PubChem CID:	11528721
Reduced:	ClN2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	228.082954
ΔH_f, kcal/mol:	84.78
Dipole, Da:	5.46
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3-chloro-5-fluorophenyl)-2-methylpiperazine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C(=C/C2=CC=CN2)/C#N)Cl

DOS

IR

Vibrations