Geometry & MOs

Info

ID:	26740
PubChem CID:	796424
Reduced:	FIO2N3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	336.160456
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	5.69
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-1-(4-cyclohexylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=C(C(=O)NC(=N2)N)I)F

DOS

IR

Vibrations