Geometry & MOs

Info

ID:	272284
PubChem CID:	103737690
Reduced:	BrON2F4H5C10 (1)
Stoich.:	ABC2D4E5F10 (1)
Weight, g/mol:	296.165541
ΔH_f, kcal/mol:	-182.57
Dipole, Da:	2.11
IP(EA), eV:	-9.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Br)NC(=O)C(C(F)F)(F)F

DOS

IR

Vibrations