Geometry & MOs

Info

ID:	59103
PubChem CID:	24770960
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	355.169605
ΔH_f, kcal/mol:	26.5
Dipole, Da:	18.28
IP(EA), eV:	-7.73(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-[6-(4-fluorophenoxy)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC[N+](CC)(CCC(=N)[O-])C1=CC2=C(C=C1)N(N=C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations