Geometry & MOs

Info

ID:	364916
PubChem CID:	127316562
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	7.97
IP(EA), eV:	-8.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclobutylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCN(CC2)C3CCC3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations