Geometry & MOs

Info

ID:	372456
PubChem CID:	131297940
Reduced:	FNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	212.071641
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	4.31
IP(EA), eV:	-9.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-piperazin-1-ylphenol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CO)SC(=C2CC#N)F

DOS

IR

Vibrations