Geometry & MOs

Info

ID:	359185
PubChem CID:	127297602
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-76.36
Dipole, Da:	3.98
IP(EA), eV:	-9.27(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclohexylsulfonylpiperazin-1-yl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)N2CCC(CC2)N3C=CN=C3

DOS

IR

Vibrations