Geometry & MOs

Info

ID:	196059
PubChem CID:	78774828
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	314.235814
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	7.38
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-1-(4-phenylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NNC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations